data_3wr12fo
# 
_cell.entry_id      3wr1 
_cell.length_a      55.640 
_cell.length_b      55.640 
_cell.length_c      153.381 
_cell.angle_alpha   90.000 
_cell.angle_beta    90.000 
_cell.angle_gamma   120.000 
# 
_entry.id   3wr1 
# 
_symmetry.entry_id               3wr1 
_symmetry.space_group_name_H-M   'P 31 2 1' 
_symmetry.Int_Tables_number      152 
# 
loop_
_refln.index_h 
_refln.index_k 
_refln.index_l 
_refln.pdbx_FWT 
_refln.pdbx_PHWT 
_refln.fom 
0   1  0  629.65  -180.00 0.00 
-1  2  0  152.37  -10.96  0.00 
0   2  0  466.10  -180.00 0.00 
-1  3  0  978.12  -42.18  0.00 
0   3  0  608.26  -180.00 0.00 
-2  4  0  836.83  -172.51 0.00 
-1  4  0  485.49  16.56   0.00 
0   4  0  138.09  0.00    0.99 
-2  5  0  1292.84 40.10   1.00 
-1  5  0  718.83  169.58  0.99 
0   5  0  277.68  0.00    1.00 
-3  6  0  1659.84 102.92  1.00 
-2  6  0  1406.64 61.35   0.99 
-1  6  0  292.68  154.61  0.97 
0   6  0  10.98   -180.00 0.76 
-3  7  0  819.52  -146.02 0.98 
-2  7  0  492.72  -18.46  0.93 
-1  7  0  719.08  -161.70 0.99 
0   7  0  1021.66 0.00    1.00 
-4  8  0  469.92  178.28  0.96 
-3  8  0  764.24  109.30  0.98 
-2  8  0  821.25  -90.94  0.98 
-1  8  0  410.51  63.14   0.98 
0   8  0  342.59  -180.00 0.96 
-4  9  0  191.75  112.71  0.92 
-3  9  0  281.10  -60.90  0.87 
-2  9  0  385.77  80.88   0.89 
-1  9  0  103.59  161.64  0.89 
0   9  0  1113.10 -180.00 1.00 
-5  10 0  264.88  120.88  0.94 
-4  10 0  691.43  -162.21 0.98 
-3  10 0  597.57  -43.72  0.98 
-2  10 0  541.93  51.08   0.96 
-1  10 0  322.07  -169.75 0.96 
0   10 0  1148.95 0.00    1.00 
-5  11 0  572.33  -125.55 0.96 
-4  11 0  850.26  -113.81 0.96 
-3  11 0  348.63  -104.84 0.74 
-2  11 0  641.87  20.58   0.88 
-1  11 0  393.27  8.50    0.93 
0   11 0  211.98  180.00  1.00 
-6  12 0  460.22  19.24   0.92 
-5  12 0  845.25  161.68  0.98 
-4  12 0  148.39  8.32    0.97 
-3  12 0  1109.78 19.69   0.99 
-2  12 0  955.78  -98.88  0.99 
-1  12 0  722.39  24.23   0.99 
0   12 0  253.25  -180.00 0.95 
-6  13 0  1.26    -152.17 0.21 
-5  13 0  500.69  -52.17  0.85 
-4  13 0  583.27  -23.75  0.96 
-3  13 0  61.22   101.27  0.84 
-2  13 0  672.43  7.39    0.96 
-1  13 0  343.24  -65.95  0.95 
0   13 0  481.54  -0.00   0.94 
-7  14 0  190.15  -140.17 0.90 
-6  14 0  75.36   -52.24  0.61 
-5  14 0  715.79  -25.38  0.98 
-4  14 0  587.72  64.89   0.98 
-3  14 0  755.56  -36.86  0.94 
-2  14 0  605.05  -157.71 0.97 
-1  14 0  820.16  162.01  0.98 
-7  15 0  629.62  -67.77  0.98 
-6  15 0  1186.09 158.85  0.99 
-5  15 0  1124.66 -4.77   0.99 
-4  15 0  597.45  86.36   0.98 
-3  15 0  1001.83 -33.65  0.99 
-1  1  1  59.83   -0.00   0.00 
0   1  1  1093.85 -60.00  0.00 
-2  2  1  507.83  -0.00   0.00 
-1  2  1  387.72  105.51  0.00 
0   2  1  68.38   -60.00  0.00 
-3  3  1  482.75  180.00  0.00 
-2  3  1  188.64  101.38  0.00 
-1  3  1  189.69  13.23   0.00 
0   3  1  140.84  120.00  0.00 
-4  4  1  1256.21 -180.00 1.00 
-3  4  1  921.56  -130.85 0.00 
-2  4  1  653.87  96.50   0.00 
-1  4  1  641.43  83.41   0.00 
0   4  1  180.33  120.00  0.94 
-5  5  1  971.22  -0.00   1.00 
-4  5  1  853.94  129.48  0.99 
-3  5  1  853.61  64.55   0.99 
-2  5  1  938.02  -96.97  0.99 
-1  5  1  1000.80 -119.79 1.00 
0   5  1  1863.49 120.00  1.00 
-6  6  1  128.60  0.00    0.00 
-5  6  1  253.45  -168.60 0.82 
-4  6  1  1618.13 88.79   1.00 
-3  6  1  208.56  -107.18 0.97 
-2  6  1  1445.36 157.20  1.00 
-1  6  1  1122.54 55.72   0.99 
0   6  1  823.34  -60.00  1.00 
-7  7  1  165.39  180.00  1.00 
-6  7  1  45.93   -120.97 0.62 
-5  7  1  580.35  -69.21  0.99 
-4  7  1  1078.58 58.34   0.99 
-3  7  1  1257.46 14.12   0.99 
-2  7  1  951.37  -21.83  0.99 
-1  7  1  785.13  171.93  0.99 
0   7  1  145.92  120.00  0.43 
-8  8  1  17.94   -180.00 0.52 
-7  8  1  561.53  12.60   0.98 
-6  8  1  426.75  -177.03 0.93 
-5  8  1  381.53  168.78  0.98 
-4  8  1  544.72  -59.24  0.98 
-3  8  1  13.70   -119.53 0.42 
-2  8  1  1075.12 40.74   0.99 
-1  8  1  2.15    21.12   0.85 
0   8  1  815.20  -60.00  1.00 
-9  9  1  126.87  180.00  0.48 
-8  9  1  187.20  16.19   0.95 
-7  9  1  345.96  -97.52  0.82 
-6  9  1  340.31  -3.51   0.95 
-5  9  1  123.78  -102.07 0.62 
-4  9  1  388.78  165.55  0.92 
-3  9  1  515.26  -145.85 0.90 
-2  9  1  824.74  -41.60  0.99 
-1  9  1  680.30  -94.96  0.98 
0   9  1  1253.76 120.00  1.00 
-10 10 1  919.43  -180.00 0.96 
-9  10 1  695.06  -161.17 0.95 
-8  10 1  1228.11 170.13  0.99 
-7  10 1  483.49  -85.17  0.97 
-6  10 1  178.95  96.91   0.31 
-5  10 1  630.51  -19.79  0.98 
-4  10 1  142.16  16.18   0.77 
-3  10 1  608.72  80.03   0.98 
-2  10 1  1051.67 -122.38 0.99 
-1  10 1  908.65  86.85   0.99 
0   10 1  1974.36 -60.00  1.00 
-11 11 1  190.83  -180.00 0.82 
-10 11 1  784.92  -156.54 0.96 
-9  11 1  1229.61 57.96   0.99 
-8  11 1  77.14   104.32  0.79 
-7  11 1  1062.31 -67.21  0.99 
-6  11 1  202.54  -74.41  0.91 
-5  11 1  754.27  140.35  0.94 
-4  11 1  259.26  -80.19  0.84 
-3  11 1  41.58   150.89  0.71 
-2  11 1  1049.26 -106.30 0.99 
-1  11 1  750.16  71.20   0.96 
0   11 1  1373.95 120.00  1.00 
-12 12 1  138.40  -180.00 0.40 
-11 12 1  929.64  7.97    0.99 
-10 12 1  739.73  -107.02 0.96 
-9  12 1  488.67  82.77   0.81 
-8  12 1  1403.23 -152.13 0.98 
-7  12 1  782.75  108.83  0.97 
-6  12 1  85.92   145.17  0.61 
-5  12 1  120.48  -46.98  0.71 
-4  12 1  463.45  13.45   0.95 
-3  12 1  534.93  -152.93 0.90 
-2  12 1  365.93  69.31   0.96 
-1  12 1  1198.65 -92.08  0.99 
0   12 1  404.95  120.00  0.99 
-13 13 1  4.41    -180.00 0.01 
-12 13 1  328.42  11.78   0.66 
-11 13 1  833.33  91.65   0.98 
-10 13 1  236.55  115.37  0.90 
-9  13 1  640.39  -15.76  0.98 
-8  13 1  376.26  -33.30  0.68 
-7  13 1  490.31  166.90  0.89 
-6  13 1  1041.97 125.41  0.98 
-5  13 1  506.35  172.35  0.98 
-4  13 1  475.49  -133.92 0.97 
-3  13 1  369.22  -66.54  0.86 
-2  13 1  1226.53 -20.74  0.98 
-1  13 1  603.66  61.42   0.95 
0   13 1  410.63  120.00  1.00 
-13 14 1  1123.49 -105.61 0.99 
-12 14 1  952.65  125.76  0.99 
-11 14 1  701.40  133.30  0.99 
-10 14 1  148.51  134.33  0.90 
-9  14 1  856.93  127.29  0.97 
-8  14 1  107.70  78.61   0.72 
-7  14 1  27.17   -66.64  0.96 
-6  14 1  319.50  -161.87 0.94 
-5  14 1  594.65  -112.25 0.97 
-4  14 1  405.22  -148.31 0.95 
-3  14 1  1195.31 -23.83  0.99 
-2  14 1  1409.46 176.12  1.00 
-1  14 1  1174.70 -3.67   0.99 
-12 15 1  1090.71 43.51   0.99 
-11 15 1  1006.78 151.97  0.99 
-10 15 1  260.16  -159.24 0.82 
-9  15 1  534.60  -110.39 0.97 
-8  15 1  910.41  15.79   0.99 
-7  15 1  798.98  70.60   0.98 
-6  15 1  1557.23 47.58   1.00 
-5  15 1  685.76  -139.64 0.95 
-4  15 1  720.98  148.83  0.98 
-3  15 1  584.52  20.21   0.96 
-1  1  2  6.96    -180.00 0.00 
0   1  2  151.07  60.00   0.00 
-2  2  2  244.40  180.00  0.00 
-1  2  2  752.86  -20.74  0.00 
0   2  2  745.18  60.00   0.00 
-3  3  2  189.35  -180.00 0.00 
-2  3  2  701.62  -145.61 0.00 
-1  3  2  714.60  -86.26  0.00 
0   3  2  1168.18 60.00   0.00 
-4  4  2  785.98  180.00  1.00 
-3  4  2  501.56  -69.60  0.00 
-2  4  2  818.31  166.79  0.00 
-1  4  2  841.22  -85.99  0.00 
0   4  2  1043.38 60.00   1.00 
-5  5  2  466.63  -0.00   1.00 
-4  5  2  91.76   5.88    0.87 
-3  5  2  226.67  -114.85 0.79 
-2  5  2  959.54  -1.49   0.99 
-1  5  2  301.42  77.67   0.94 
0   5  2  2632.96 -120.00 1.00 
-6  6  2  8.86    -180.00 0.60 
-5  6  2  1114.10 51.89   0.99 
-4  6  2  1013.44 -169.88 1.00 
-3  6  2  881.61  131.95  0.99 
-2  6  2  621.69  -75.51  0.98 
-1  6  2  676.18  73.69   0.98 
0   6  2  881.32  60.00   1.00 
-7  7  2  289.11  0.00    0.96 
-6  7  2  730.72  -125.92 0.99 
-5  7  2  575.06  162.50  0.98 
-4  7  2  802.48  19.13   0.99 
-3  7  2  1348.26 78.29   1.00 
-2  7  2  228.73  -156.98 0.97 
-1  7  2  720.15  -157.49 0.98 
0   7  2  128.55  -120.00 0.00 
-8  8  2  7.49    -0.00   1.00 
-7  8  2  241.09  -37.52  0.96 
-6  8  2  374.17  -156.35 0.98 
-5  8  2  1039.37 137.43  0.99 
-4  8  2  959.62  3.74    0.99 
-3  8  2  616.76  23.96   0.96 
-2  8  2  132.19  -112.38 0.95 
-1  8  2  143.11  159.37  0.86 
0   8  2  1000.46 60.00   1.00 
-9  9  2  823.59  180.00  1.00 
-8  9  2  254.94  153.85  0.93 
-7  9  2  699.27  74.37   0.98 
-6  9  2  481.73  -31.60  0.96 
-5  9  2  259.91  1.20    0.91 
-4  9  2  392.27  -162.65 0.96 
-3  9  2  7.98    -102.75 0.77 
-2  9  2  327.99  62.50   0.96 
-1  9  2  581.85  -133.40 0.98 
0   9  2  136.35  60.00   1.00 
-10 10 2  1323.35 0.00    1.00 
-9  10 2  925.57  -173.76 0.99 
-8  10 2  734.62  -35.08  0.99 
-7  10 2  388.70  2.49    0.90 
-6  10 2  1132.79 92.82   0.99 
-5  10 2  523.86  -7.05   0.96 
-4  10 2  667.65  147.03  0.99 
-3  10 2  326.00  71.33   0.98 
-2  10 2  922.97  11.61   0.99 
-1  10 2  541.05  70.50   0.98 
0   10 2  259.96  -120.00 0.00 
-11 11 2  107.81  180.00  0.74 
-10 11 2  1019.61 173.64  0.98 
-9  11 2  173.20  -160.19 0.70 
-8  11 2  445.83  69.00   0.94 
-7  11 2  950.79  -122.85 0.99 
-6  11 2  443.23  -159.44 0.90 
-5  11 2  500.67  103.52  0.97 
-4  11 2  219.60  -127.79 0.79 
-3  11 2  215.99  163.75  0.80 
-2  11 2  1464.70 80.13   0.99 
-1  11 2  283.92  137.07  0.72 
0   11 2  582.70  60.00   1.00 
-12 12 2  38.85   0.00    0.91 
-11 12 2  718.00  158.52  0.97 
-10 12 2  301.14  -166.77 0.91 
-9  12 2  145.48  173.32  0.87 
-8  12 2  108.62  24.11   0.87 
-7  12 2  450.55  75.66   0.97 
-6  12 2  704.34  -54.40  0.94 
-5  12 2  377.50  -143.11 0.94 
-4  12 2  649.32  -10.62  0.97 
-3  12 2  615.49  152.71  0.98 
-2  12 2  890.42  -47.02  0.96 
-1  12 2  317.51  -122.42 0.88 
0   12 2  30.72   -120.00 0.07 
-13 13 2  650.24  0.00    1.00 
-12 13 2  760.82  155.97  0.85 
-11 13 2  461.42  151.43  0.88 
-10 13 2  609.53  -159.44 0.90 
-9  13 2  709.91  -10.50  0.95 
-8  13 2  765.79  -135.16 0.98 
-7  13 2  691.66  -125.52 0.94 
-6  13 2  962.68  22.35   0.99 
-5  13 2  128.41  22.12   0.53 
-4  13 2  1381.25 32.91   0.99 
-3  13 2  1188.81 0.06    0.99 
-2  13 2  806.24  92.64   0.98 
-1  13 2  600.54  -128.37 0.84 
0   13 2  123.87  60.00   0.34 
-13 14 2  901.69  113.72  0.98 
-12 14 2  729.16  1.96    0.99 
-11 14 2  776.73  -162.52 0.99 
-10 14 2  619.12  131.81  0.97 
-9  14 2  586.03  149.99  0.97 
-8  14 2  28.99   -48.85  0.67 
-7  14 2  359.15  -2.80   0.90 
-6  14 2  546.37  -74.78  0.97 
-5  14 2  395.35  -49.61  0.97 
-4  14 2  921.01  67.23   0.97 
-3  14 2  670.86  41.49   0.96 
-2  14 2  655.53  -134.98 0.97 
-1  14 2  869.05  72.91   0.97 
-12 15 2  452.55  151.93  0.00 
-11 15 2  605.94  62.31   0.97 
-10 15 2  549.62  115.47  0.90 
-9  15 2  1329.11 -15.39  0.99 
-8  15 2  424.45  -6.55   0.98 
-7  15 2  1048.25 172.17  0.99 
-6  15 2  1188.53 -115.68 0.99 
-5  15 2  959.49  98.81   0.98 
-4  15 2  360.89  113.30  0.96 
-3  15 2  928.24  -30.54  0.00 
0   0  3  1266.31 -180.00 0.00 
-1  1  3  94.22   -180.00 0.00 
0   1  3  889.95  0.00    0.00 
-2  2  3  116.83  -180.00 0.00 
-1  2  3  383.12  57.73   0.00 
0   2  3  103.98  -180.00 0.00 
-3  3  3  59.03   0.00    0.00 
-2  3  3  639.39  -25.59  0.00 
-1  3  3  965.71  150.54  0.00 
0   3  3  216.44  -0.00   0.00 
-4  4  3  668.26  -0.00   1.00 
-3  4  3  799.87  -88.75  0.99 
-2  4  3  442.17  16.11   0.00 
-1  4  3  621.48  66.18   0.99 
0   4  3  109.20  -180.00 0.92 
-5  5  3  122.95  0.00    0.57 
-4  5  3  1349.25 159.88  1.00 
-3  5  3  1007.23 -21.68  0.99 
-2  5  3  602.44  162.22  0.99 
-1  5  3  399.86  27.89   0.95 
0   5  3  1755.91 -0.00   1.00 
-6  6  3  680.71  -180.00 1.00 
-5  6  3  293.43  -42.04  0.97 
-4  6  3  1307.14 150.69  1.00 
-3  6  3  637.44  -91.68  0.97 
-2  6  3  401.97  139.48  0.98 
-1  6  3  840.20  -7.16   0.99 
0   6  3  197.31  -180.00 0.96 
-7  7  3  26.77   0.00    1.00 
-6  7  3  534.63  74.84   0.95 
-5  7  3  734.73  -37.13  0.98 
-4  7  3  785.97  80.33   0.99 
-3  7  3  1190.52 99.39   0.99 
-2  7  3  625.36  -144.23 0.99 
-1  7  3  1242.67 -88.93  0.99 
0   7  3  925.84  180.00  1.00 
-8  8  3  166.29  -180.00 0.97 
-7  8  3  698.88  44.12   0.98 
-6  8  3  453.98  -116.48 0.96 
-5  8  3  524.27  142.93  0.98 
-4  8  3  448.14  -173.77 0.98 
-3  8  3  586.29  156.82  0.96 
-2  8  3  993.03  -31.50  0.99 
-1  8  3  366.97  -126.98 0.98 
0   8  3  733.01  -0.00   1.00 
-9  9  3  778.96  -0.00   1.00 
-8  9  3  958.12  175.68  0.99 
-7  9  3  166.54  -46.76  0.93 
-6  9  3  515.55  -171.07 0.99 
-5  9  3  488.53  101.67  0.94 
-4  9  3  417.23  -55.05  0.92 
-3  9  3  181.75  133.60  0.93 
-2  9  3  863.17  -59.31  0.99 
-1  9  3  128.60  -164.48 0.65 
0   9  3  28.00   -0.00   0.93 
-10 10 3  875.28  -180.00 1.00 
-9  10 3  563.00  -144.26 0.98 
-8  10 3  843.43  28.88   0.94 
-7  10 3  648.47  169.37  0.96 
-6  10 3  377.44  -99.95  0.62 
-5  10 3  4.19    158.18  0.73 
-4  10 3  121.44  49.78   0.95 
-3  10 3  573.38  -32.50  0.84 
-2  10 3  219.12  82.50   0.90 
-1  10 3  891.18  146.24  0.99 
0   10 3  436.09  0.00    0.00 
-11 11 3  83.17   -180.00 1.00 
-10 11 3  759.58  1.20    0.98 
-9  11 3  739.14  -128.20 0.98 
-8  11 3  1314.88 -52.63  0.99 
-7  11 3  600.26  -70.92  0.97 
-6  11 3  48.10   46.12   0.56 
-5  11 3  29.65   176.65  0.76 
-4  11 3  545.96  170.56  0.95 
-3  11 3  464.38  81.14   0.90 
-2  11 3  906.40  10.43   0.98 
-1  11 3  1157.69 -1.86   0.99 
0   11 3  729.52  -180.00 0.88 
-12 12 3  568.22  -0.00   0.00 
-11 12 3  1374.81 -165.93 0.99 
-10 12 3  404.14  -20.34  0.97 
-9  12 3  428.41  77.64   0.95 
-8  12 3  499.44  -58.35  0.92 
-7  12 3  77.60   -40.38  0.32 
-6  12 3  938.47  120.30  0.99 
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# 
