Software Name Version Classification PHENIX(1.10_2155: ???)refinement DENZOdata reduction SCALEPACKdata scaling HKL-3000phasing
Refinement Resolution : 2.104→49.316 Å / SU ML : 0.23 / Cross valid method : FREE R-VALUE / σ(F) : 0 / Phase error : 26.14 / Stereochemistry target values : MLRfactor Num. reflection % reflection Rfree 0.2341 1862 1.67 % Rwork 0.1933 - - obs 0.1939 111829 91.38 %
Solvent computation Shrinkage radii : 0.9 Å / VDW probe radii : 1.11 Å / Solvent model : FLAT BULK SOLVENT MODELRefinement step Cycle : LAST / Resolution : 2.104→49.316 ÅProtein Nucleic acid Ligand Solvent Total Num. atoms 11693 0 0 652 12345
Refine LS restraints Refine-ID Type Dev ideal Number X-RAY DIFFRACTION f_bond_d0.007 11883 X-RAY DIFFRACTION f_angle_d0.788 16242 X-RAY DIFFRACTION f_dihedral_angle_d11.656 6940 X-RAY DIFFRACTION f_chiral_restr0.054 1956 X-RAY DIFFRACTION f_plane_restr0.005 2083
LS refinement shell Resolution (Å)Rfactor Rfree Num. reflection Rfree Rfactor Rwork Num. reflection Rwork Refine-ID % reflection obs (%)2.1041-2.161 0.3041 114 0.2377 6823 X-RAY DIFFRACTION 74 2.161-2.2246 0.2873 122 0.2363 7565 X-RAY DIFFRACTION 82 2.2246-2.2964 0.2752 137 0.221 7759 X-RAY DIFFRACTION 84 2.2964-2.3785 0.2751 141 0.2115 8023 X-RAY DIFFRACTION 86 2.3785-2.4737 0.2587 143 0.1969 8188 X-RAY DIFFRACTION 89 2.4737-2.5863 0.2528 136 0.2015 8325 X-RAY DIFFRACTION 90 2.5863-2.7227 0.262 149 0.2032 8652 X-RAY DIFFRACTION 93 2.7227-2.8932 0.2748 148 0.1952 8788 X-RAY DIFFRACTION 95 2.8932-3.1166 0.2358 152 0.1955 8951 X-RAY DIFFRACTION 97 3.1166-3.4301 0.2212 154 0.1941 9098 X-RAY DIFFRACTION 98 3.4301-3.9263 0.2055 154 0.1795 9224 X-RAY DIFFRACTION 99 3.9263-4.946 0.2052 155 0.1659 9232 X-RAY DIFFRACTION 100 4.946-49.3299 0.2336 157 0.2038 9339 X-RAY DIFFRACTION 100
Refinement TLS params. Method : refined / Refine-ID : X-RAY DIFFRACTION
Show large table (25 x 105) Hide large table ID L11 (°2 )L12 (°2 )L13 (°2 )L22 (°2 )L23 (°2 )L33 (°2 )S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T11 (Å2 )T12 (Å2 )T13 (Å2 )T22 (Å2 )T23 (Å2 )T33 (Å2 )Origin x (Å)Origin y (Å)Origin z (Å)1 5.1781 -3.4083 -4.342 2.3439 2.786 3.6881 0.7844 1.3446 0.206 -2.3051 -1.3587 1.4581 -0.154 0.3038 0.5381 1.1645 0.1599 -0.0862 0.5077 -0.0413 0.683 67.9961 83.1211 9.8916 2 2.7995 1.7357 2.8705 4.2526 3.6889 4.0703 -0.4253 -0.1971 0.5601 0.7743 0.1544 -0.1676 -0.9414 -0.312 0.3469 0.7067 0.0585 -0.0621 0.3255 -0.1731 0.5014 71.6397 89.1077 26.2352 3 6.5628 -4.4954 -3.9686 4.294 2.9073 2.4383 -0.0433 -0.5075 -0.7335 0.6839 -0.5181 0.2817 0.1057 0.2111 0.6128 0.4692 -0.0242 -0.0247 0.324 -0.0059 0.2648 65.5785 67.7418 24.3772 4 9.4732 6.1176 2.7997 4.0755 2.0003 1.1159 0.1583 -0.4792 0.3233 0.3356 -0.2419 -0.0205 -0.0847 -0.0897 0.0921 0.5964 0.02 -0.0574 0.3439 -0.0728 0.314 76.2003 79.4595 25.9111 5 8.5851 -1.2991 -4.1334 6.2567 -2.6158 3.7965 -0.5204 -0.9629 1.1235 0.6292 -0.6781 -0.5506 -0.5454 -0.2255 0.0626 0.6954 -0.0767 -0.0539 0.4711 -0.2884 0.1676 75.7644 86.48 32.2719 6 3.9181 0.7914 1.2982 3.5119 0.5412 3.1562 -0.0659 -0.4165 0.2652 0.3832 -0.0109 0.1711 -0.2301 0.1397 -0.0376 0.4716 0.0106 -0.012 0.3298 -0.0412 0.1624 69.5753 77.0992 23.4968 7 6.1038 -2.1753 -2.056 3.9277 4.7746 5.6042 -0.2663 -0.0343 0.2568 -0.2387 -0.323 0.9781 -0.4446 -0.2412 0.5065 0.5542 0.0348 -0.0923 0.2518 -0.0601 0.358 67.0554 81.8202 20.8811 8 2.8258 1.9016 3.3532 8.0508 2.7165 4.0306 -0.3699 -0.1596 0.8221 0.0006 -0.3422 0.7201 -0.3979 -0.6128 0.5979 0.5219 0.0862 -0.0633 0.3704 -0.084 0.401 65.7183 87.296 20.8138 9 5.7553 0.4115 2.4748 5.9414 4.2084 5.8381 0.1357 0.5757 0.0577 -0.6614 0.1064 -0.2358 -0.2942 0.6447 -0.2836 0.5483 -0.0227 0.0076 0.3567 0.0208 0.2182 76.3749 78.5469 14.2297 10 8.9681 4.5477 -5.4152 9.0979 2.0946 6.7766 -0.6437 2.3329 1.1509 0.3373 -0.4664 1.7489 1.3669 0.9462 1.1736 0.9028 0.2695 -0.1398 0.6919 -0.0465 0.6111 47.1876 77.9194 2.8407 11 2.2165 0.4827 0.4463 7.9661 3.4146 1.4619 -0.1562 -0.2157 0.914 0.2181 -0.2177 0.4825 -0.8768 -0.5039 0.3605 0.6587 0.1441 -0.0501 0.3716 -0.1525 0.6424 48.0282 88.1703 17.991 12 6.1502 -5.07 3.0927 4.5784 -4.1047 7.4995 -0.5376 -0.2558 -0.4946 0.7741 0.1276 0.8645 0.0449 0.0426 0.5078 0.4169 0.0605 -0.034 0.3077 -0.0452 0.4457 52.8528 66.1806 19.6979 13 5.233 -1.3469 1.4285 7.7604 -2.7438 2.1529 -0.1518 -0.4691 0.6637 0.0907 -0.1074 -0.6041 -0.3518 0.0962 0.2221 0.6017 0.0805 -0.0405 0.3677 -0.1192 0.4172 56.6806 81.6157 18.7467 14 8.0797 -0.2331 -2.5979 5.1351 -1.3149 6.3607 -0.116 -0.8205 0.691 1.1522 -0.1359 0.0716 -1.0425 -0.0059 -0.0612 0.5492 0.1818 -0.0799 0.3506 -0.1525 0.4791 51.9336 86.2076 24.9935 15 5.0624 -1.4843 1.8278 8.5726 -4.4746 2.6504 -0.3948 -1.4478 0.5577 0.9103 0.664 0.8527 -0.8731 -1.4818 -0.1002 0.7325 0.2744 0.0293 0.8463 -0.2266 0.6459 45.4162 87.9618 29.6705 16 3.771 -0.9645 -0.4472 3.4907 0.1507 1.9993 -0.0145 0.0914 0.1647 0.366 -0.0477 0.3262 -0.2005 0.0145 0.0646 0.4587 0.0667 -0.0717 0.2559 -0.0478 0.2669 51.0157 74.1673 15.4106 17 9.3045 -6.878 -2.998 7.8918 2.3321 3.2345 -0.0082 0.1709 0.095 -0.2699 0.0093 0.173 -0.2508 -0.0791 0.0019 0.4979 0.0573 -0.1138 0.3176 -0.0775 0.3281 52.8289 71.609 10.8428 18 8.1168 -5.4698 -3.1871 4.5107 4.5896 7.9964 0.2727 0.4417 0.299 -0.406 -0.6677 0.1338 -0.7344 -0.8214 0.376 0.6073 0.0233 -0.0457 0.2661 -0.0298 0.4329 43.9124 82.5011 13.122 19 5.3007 -2.0897 0.1705 7.3772 1.9436 4.1112 0.0671 0.5507 0.4263 -0.622 -0.0935 -0.0755 -0.2752 0.2331 -0.0312 0.4809 0.0319 -0.0259 0.3323 0.013 0.2582 57.7218 78.6258 7.4743 20 8.1694 -0.0134 4.4508 1.6366 -0.7839 3.4122 -0.137 0.0774 0.3362 0.5927 -0.0944 -0.5775 -0.4553 0.4538 0.2561 0.8098 -0.1267 -0.2908 0.544 -0.043 0.5076 104.2293 58.1074 35.5076 21 6.4056 4.5064 4.4873 5.2457 4.9032 4.5912 -0.5633 -0.7375 0.1207 0.6218 0.1707 0.3631 -0.2015 -0.1474 0.3837 0.5236 -0.0251 -0.0055 0.3451 -0.004 0.2065 85.1682 51.2626 31.5854 22 5.9789 1.369 3.0569 3.5907 -0.711 4.3122 0.3234 -0.459 -0.6458 0.7672 -0.1248 -0.6364 0.0747 -0.0326 -0.1854 0.6233 -0.0161 -0.2423 0.3859 0.03 0.4336 100.4208 48.0821 34.7881 23 4.4383 -1.5664 -4.396 6.9686 0.6825 6.9739 -0.5395 -0.2682 0.7895 1.2911 0.5591 -1.0572 0.5973 0.442 -0.0069 0.8605 0.0106 -0.3798 0.5582 0.0497 0.5699 104.1309 49.3715 42.8428 24 8.7012 -3.2813 -0.8078 7.8107 -6.0307 8.756 0.4619 -1.3982 -0.0378 1.2707 0.748 0.4275 0.5433 -0.3264 -0.8317 1.2953 -0.1509 -0.4472 1.0382 0.1589 0.6023 104.4795 54.9679 50.6351 25 4.9132 1.0464 4.0126 1.6117 1.9024 6.246 -0.1605 -0.5227 0.2171 0.5479 0.0152 -0.3696 -0.3601 -0.167 0.1956 0.6609 -0.0103 -0.1807 0.3227 -0.0117 0.3005 93.8677 54.5875 31.0864 26 5.0949 4.8764 2.3724 7.4938 0.7322 2.6581 -0.1335 0.5723 0.5262 -1.2865 -0.2401 0.6309 -0.6616 -0.0108 0.3354 0.6562 -0.0245 -0.1177 0.32 -0.0659 0.335 85.1257 48.1097 14.1606 27 6.9708 2.6824 5.0826 1.3874 1.9045 3.7412 0.5018 -0.9184 -0.1805 0.8554 -0.1405 -0.8879 0.2425 -0.1861 -0.2144 0.7031 -0.063 -0.2956 0.4456 0.0082 0.395 97.8592 58.2425 32.2888 28 4.5181 0.7307 2.7937 3.0352 -1.7001 5.6185 0.1017 -0.0021 0.1236 0.5773 0.2433 -1.0137 -0.2771 0.3941 0.1032 0.59 0.0091 -0.131 0.297 0.0153 0.3727 99.5106 57.5226 27.7958 29 5.7964 1.2065 4.0744 5.6351 -0.2676 9.4829 0.0688 0.3381 -0.0252 0.5223 -0.076 -1.0761 -0.1316 0.9542 -0.0519 0.3575 -0.0339 -0.144 0.2875 0.0278 0.4037 103.4705 52.5449 26.9284 30 2.4249 -1.4898 0.2898 2.9014 0.656 0.2902 0.2797 0.3229 -0.0266 -0.5547 -0.4646 1.4025 -0.4847 -0.7554 0.0518 0.6347 0.3908 -0.1898 0.6727 -0.2026 0.785 29.0523 72.0753 8.123 31 2.299 -0.9442 2.3775 1.7358 -2.3746 8.3179 -0.4622 -0.7127 -0.9527 0.3698 0.0788 0.8499 -0.4646 -0.0014 0.371 0.3177 0.0992 0.0054 0.3185 -0.0699 0.4448 42.5134 57.9058 15.8366 32 4.4673 -3.2261 -2.5118 2.8041 1.8567 1.4153 -0.3223 -0.4364 0.545 0.0402 0.1136 0.3267 -0.5089 -0.4127 0.0604 0.5886 0.2696 -0.2004 0.5861 -0.2603 0.612 33.0179 75.5896 16.0248 33 3.4184 -1.0098 -0.0679 3.5072 1.4529 2.4888 -0.1754 0.2668 0.021 0.0352 -0.1039 0.2921 -0.0982 -0.2499 0.2184 0.4396 0.1047 -0.0733 0.3419 -0.1148 0.3932 37.3382 63.2442 10.3012 34 7.5973 -3.3667 -1.393 6.0129 2.9021 3.3807 -0.0133 0.0026 -0.0913 -0.3304 -0.1487 0.3368 -0.1024 -0.2443 0.1408 0.3878 0.1024 -0.1239 0.342 -0.0903 0.4137 40.3864 61.1585 6.1451 35 3.5027 -1.7699 0.2164 4.7378 2.4126 2.879 0.0123 0.214 0.1212 -0.356 -0.5768 0.9404 -0.2053 -0.8619 0.5465 0.4247 0.1916 -0.1986 0.5172 -0.2272 0.6049 27.2943 66.6441 6.8574 36 6.6412 -4.2607 2.6347 6.2507 -2.06 3.0125 -0.1937 1.097 0.5564 -0.7681 -0.2328 0.193 -0.5539 0.0889 0.2897 0.6105 0.1167 -0.1813 0.453 -0.0847 0.4077 41.6497 69.1051 1.7186 37 3.6993 -0.6071 2.2563 2.0229 0.2418 1.5995 0.4278 0.8971 -0.1347 -1.8445 0.2005 0.2481 -0.9436 0.4965 -0.4136 1.2845 -0.2106 -0.1466 0.5653 0.0915 0.6551 85.8904 76.0854 15.8089 38 5.02 -0.2571 3.3478 1.8289 1.0146 3.3624 -0.2467 -0.117 0.3059 0.2132 -0.0084 -0.5991 -0.3721 0.2684 0.2454 0.7314 -0.1413 -0.0835 0.4004 -0.0914 0.3651 92.495 77.4953 34.4679 39 4.6684 1.4545 0.6457 4.7803 0.2304 1.5687 0.0391 -0.3389 -0.3672 0.3525 -0.0048 -0.1675 0.16 0.1059 -0.066 0.5792 -0.0308 -0.0815 0.3205 -0.0328 0.2543 87.2871 65.5462 30.8456 40 2.0401 -0.0632 -6.0866 6.7141 0.428 3.8421 0.0695 -0.7931 -0.5019 0.902 -0.2893 -0.3516 0.2949 -0.0893 0.1843 0.7228 -0.178 -0.1955 0.575 -0.0423 0.3397 92.6475 71.7892 40.1468 41 7.1642 0.4113 2.9461 6.0768 -7.1905 2.019 0.2601 -1.4249 -0.0722 1.0513 0.5538 0.5747 -0.4034 -1.673 -0.7277 1.3301 -0.066 -0.2281 0.9432 -0.1192 0.4391 89.8691 78.3534 46.1786 42 4.0327 1.7635 2.1681 3.9686 1.1669 3.2367 0.0384 -0.0172 -0.0307 -0.1633 -0.0423 0.0327 0.0662 0.1709 -0.0197 0.4918 -0.0031 -0.0484 0.2774 -0.02 0.1731 82.2513 64.9866 22.4464 43 7.7904 6.0295 6.6223 5.6943 5.2561 5.6239 -0.0555 -0.6049 0.4728 -0.0621 -0.765 0.6251 -0.5614 -0.477 0.6208 0.5535 -0.0851 -0.0604 0.2977 0.0122 0.1697 85.2655 74.2947 27.6577 44 3.3541 -0.1165 3.4041 7.0512 2.1587 7.071 0.0502 0.1911 0.2669 -0.7023 0.1249 -0.3575 -0.5355 0.4194 -0.1343 0.4149 -0.1247 -0.0144 0.3557 0.0184 0.2547 87.2986 73.6984 23.2646 45 9.1549 4.1151 4.3647 2.6336 3.9968 7.2727 0.1679 0.2448 0.1291 0.0608 -0.1109 -0.6593 -0.1514 0.6685 -0.0502 0.4418 -0.0392 -0.0151 0.3454 -0.0133 0.2733 93.6115 71.4687 23.5188 46 2.472 1.5769 2.416 1.9867 1.796 2.8825 -1.6999 1.355 1.922 -1.6214 -0.4176 -0.5126 -1.4388 0.5488 1.5384 0.8418 -0.0169 -0.2883 0.7734 0.0263 0.8401 104.7031 41.3713 22.5493 47 3.5459 0.4708 -0.3736 2.917 -1.9306 1.3581 -0.3919 0.1012 0.2285 0.3649 0.179 0.277 -0.4988 0.5192 0.255 0.8667 -0.0154 -0.5138 0.7114 0.1159 0.9542 113.6728 29.6661 38.6241 48 5.8177 -3.9494 6.9448 2.7526 -4.7422 8.3402 -1.3122 -0.5734 0.528 1.7569 0.5538 -0.6253 -0.7701 0.0318 0.6404 0.735 0.0514 -0.2025 0.4675 0.0366 0.3641 97.3989 33.1996 39.6835 49 3.3369 2.2463 4.3689 9.6237 6.3551 7.1117 -0.4803 -0.3334 -0.0928 0.6071 0.3368 0.379 -0.9273 -0.3186 0.3547 0.4472 0.0142 -0.0351 0.3335 0.0385 0.2307 86.7652 37.6654 32.0374 50 3.8155 -5.4383 1.1484 7.884 -1.681 0.6382 -0.3424 0.0831 -0.0256 0.7329 0.0982 -0.2823 0.0638 0.0834 0.2012 0.5633 -0.0292 -0.1354 0.4001 0.0599 0.3436 98.6 27.1804 33.7325 51 4.8017 -3.8277 -4.9329 7.4031 7.6222 8.0961 -0.5749 0.2421 -0.9546 1.7408 -0.2119 0.081 0.5939 0.1185 0.4157 0.7752 -0.0148 -0.1689 0.4525 0.23 0.5422 102.0983 25.349 42.332 52 7.1394 2.2454 -5.3659 5.8377 -2.8022 4.2872 -0.0434 -1.3715 -0.5515 1.677 0.3718 0.2563 0.723 0.8041 -0.4806 1.1701 -0.0065 -0.2918 0.8578 0.3038 0.5858 104.8306 27.7648 49.8757 53 5.4231 0.2049 3.9189 2.0817 -0.8051 7.5832 -0.1237 -0.1381 -0.1412 0.5771 0.0051 -0.4695 -0.2045 0.238 0.1681 0.5571 -0.0055 -0.1529 0.338 0.0486 0.3188 96.0468 36.5349 31.6254 54 3.8473 2.9575 4.487 3.4824 3.446 5.2225 -0.0014 0.9682 0.4041 -1.3794 0.0486 0.4201 -0.2677 0.5287 -0.0439 0.5872 -0.0116 -0.1986 0.3663 -0.0027 0.369 85.8348 38.149 14.3834 55 2.9172 -2.1797 2.6558 1.705 -2.1418 3.3457 -0.2621 -0.3271 0.2437 0.6743 0.0181 -0.6328 -0.5256 0.2461 0.326 0.6125 -0.0341 -0.2616 0.447 0.0895 0.425 101.3006 37.6279 33.2663 56 3.6479 -0.7728 1.861 1.2835 -2.2346 3.9654 0.1118 0.0867 0.0657 0.5913 -0.2195 -0.6998 0.4236 0.5412 0.0025 0.6369 -0.0506 -0.1963 0.3043 0.0608 0.4724 102.574 37.0217 28.6448 57 8.4317 -2.4282 5.5058 7.2465 -2.1596 3.7537 -0.0882 0.0587 -0.1294 0.0031 -0.1649 -1.1001 0.4119 0.4877 0.2298 0.4522 0.0266 -0.0823 0.4254 0.0883 0.3968 103.6123 31.014 26.6504 58 8.0974 7.2786 1.1804 8.0511 0.3348 0.5537 1.3292 0.7971 -2.1858 -1.0861 -0.6185 -1.1725 1.0268 0.8696 0.0711 0.9981 0.0531 0.0947 0.4231 -0.0195 0.9275 66.8937 0.0069 8.4916 59 0.2754 0.4512 0.3169 1.1659 0.9646 1.1732 0.0024 -0.7428 -1.3979 -0.1056 0.3728 -0.0059 0.5963 -0.5151 0.1295 0.8137 -0.32 -0.1011 0.5091 0.2882 1.1319 52.4777 -6.1939 18.3557 60 2.2493 -0.669 2.0617 3.2586 -4.1292 5.8983 0.1753 -0.7352 -0.192 -0.0597 -0.3803 0.2578 0.2222 -0.0842 0.307 0.3395 -0.0139 0.0366 0.361 0.011 0.2639 58.5474 15.323 21.3299 61 3.7597 1.9005 -0.4082 2.1955 0.7261 3.0775 0.2324 -0.6311 -0.691 -0.313 0.0717 0.9172 0.476 -0.9218 -0.1206 0.4441 -0.1754 -0.0741 0.4496 0.2084 0.6252 49.5422 3.7701 15.174 62 2.8131 0.5144 0.77 6.5284 1.7011 6.6356 0.6734 -0.3471 -1.2052 0.3164 -0.2197 1.5345 1.2454 -1.4582 -0.0532 0.5789 -0.2776 0.0622 0.6799 0.2613 0.9474 45.6953 -3.0959 20.4289 63 0.7452 0.4608 -0.1709 1.0505 0.9623 1.6595 0.693 -0.4596 0.0501 0.7531 -0.173 0.3078 -0.0032 -0.4321 0.1049 0.6351 -0.716 0.3739 0.7529 1.0902 1.7267 46.2173 -7.5539 28.3803 64 5.3932 1.8689 0.033 2.3674 -0.3702 1.9884 0.06 -0.1897 -0.2017 -0.3129 -0.2429 -0.0411 0.4227 0.0028 0.0214 0.4107 -0.0504 -0.0135 0.2841 0.0519 0.2186 60.4874 11.9875 13.8419 65 5.1811 1.4837 -1.2506 5.9942 0.9639 0.6506 0.2212 -0.3655 -0.841 -0.5997 -0.1801 0.4088 0.7359 -0.0386 0.0104 0.4135 -0.0756 -0.0791 0.2893 0.0972 0.4688 60.379 2.0178 14.2765 66 4.0375 3.3243 -1.0103 8.6916 0.1185 1.8278 -0.0453 0.2226 -0.5741 -0.8026 0.3711 0.5808 0.7291 -0.3836 -0.0922 0.5175 -0.0774 -0.1354 0.2785 0.0505 0.5486 55.7853 1.0304 8.5001 67 3.4 -0.2027 -0.7089 9.0555 0.6242 2.3092 0.1069 -0.385 -0.9687 0.1445 0.0429 -0.378 0.5914 0.2068 -0.1368 0.579 0.0351 -0.1451 0.3363 0.1299 0.5735 78.5819 -2.7111 24.6902 68 3.6261 -0.409 1.3855 4.668 2.0991 4.5455 0.0122 -0.4463 -0.4467 -0.0684 0.002 0.2785 0.3798 -0.4665 0.009 0.4231 -0.0556 -0.0029 0.3466 0.1389 0.3023 69.8382 6.64 23.6161 69 3.9597 1.6551 3.519 5.0519 -1.0686 7.2099 0.6288 -0.9541 -1.2313 0.1833 -0.2034 -0.1171 0.7291 -0.2009 -0.5962 0.5199 -0.0843 0.0297 0.5796 0.2344 0.6538 70.4996 -4.1108 31.1891 70 5.2625 3.02 -3.8753 3.4427 -0.1092 8.8222 0.4007 -0.3675 -0.1221 1.7038 0.0568 0.6356 0.4359 -0.9678 -0.3639 1.1207 -0.1448 0.4111 0.7938 0.964 1.0843 70.793 -7.7342 37.5083 71 4.7629 -0.2561 1.4286 5.5119 -2.4243 3.6802 -0.0533 0.0133 0.0541 0.0535 -0.298 -0.0442 0.1845 0.0913 0.344 0.3314 0.0185 0.0372 0.2405 0.0117 0.1671 75.0613 13.6599 19.2139 72 4.7425 -0.4676 0.5311 7.7394 -3.4619 2.9501 0.068 -0.0644 -0.65 0.1948 -0.1566 -0.1666 0.1974 0.2662 0.0731 0.3699 -0.0023 -0.0044 0.2452 0.0409 0.2793 78.56 3.2719 19.8164 73 7.8461 0.4679 -1.6282 0.5245 0.0222 0.5447 -0.1753 0.5353 -0.9882 -0.0192 -0.3168 1.0472 0.4083 -0.4585 0.3644 0.3955 -0.1256 0.0215 0.6558 -0.1099 1.0833 21.3962 25.4968 4.1949 74 4.0501 5.5544 -3.2134 8.6172 -1.6087 9.7048 -0.1188 -1.1042 -0.8837 0.9406 0.2653 -0.0027 -0.5626 -0.5029 -0.1668 0.3413 0.0006 -0.0293 0.4711 0.0312 0.4525 38.8119 31.8583 14.2964 75 1.9973 1.7113 -0.2788 3.2992 0.1755 3.805 -0.2009 -0.2035 0.6181 0.0198 0.0577 1.3974 -0.2973 -0.6751 -0.031 0.2847 0.0184 0.0544 0.5929 -0.1032 1.0278 21.5796 34.5926 7.9746 76 4.8768 -2.2408 2.3805 8.3501 3.5038 4.6574 -0.2286 -0.6379 0.3795 1.26 0.1734 0.4264 0.2906 -0.5453 -0.013 0.5725 -0.1081 0.3805 1.133 -0.1726 1.4525 12.8323 27.3127 16.7018 77 4.2564 -0.6055 0.3735 3.2752 -0.3021 2.5402 -0.0194 -0.1008 -0.6656 -0.0713 -0.0947 0.2815 -0.0225 -0.4261 0.1399 0.2635 -0.0193 0.0012 0.3457 -0.0399 0.4261 34.9578 28.7663 6.0209 78 7.068 2.2299 -0.6716 5.305 -0.71 3.4113 -0.2684 0.221 -0.0634 -0.5639 0.2359 0.7972 0.027 -0.316 0.0575 0.2983 0.0056 -0.0628 0.3311 -0.1182 0.4964 29.6265 28.2387 0.4495 79 2.2257 -1.0121 2.1991 2.3114 -0.8006 2.26 -0.0549 2.0245 1.0121 -0.7929 0.3048 -1.5007 -0.6709 0.7864 1.0449 0.7919 0.1236 -0.1146 0.8255 0.2159 0.6249 101.1176 20.5676 21.2499 80 8.0402 -1.4385 0.37 2.1515 -2.3915 3.9017 0.5977 0.2653 -0.6282 0.8144 -0.4832 -0.6055 0.4614 0.2603 -0.103 0.5747 0.1054 -0.1488 0.4231 0.0871 0.5181 101.392 4.1475 33.481 81 5.5643 -2.7325 1.0797 4.8037 0.7576 1.1101 -0.3187 -0.3861 0.0586 0.9554 0.0972 0.0289 -0.2221 -0.0209 0.2586 0.4865 0.0584 -0.0089 0.3139 0.0303 0.2451 85.3057 19.8731 33.076 82 7.3705 -5.5641 1.7481 6.6901 -1.3702 0.6975 0.0509 -0.233 -0.4515 0.486 -0.0683 0.0896 0.2256 0.2068 -0.0569 0.5295 0.0193 -0.0615 0.367 0.1045 0.3533 87.0725 10.1984 29.0639 83 8.6164 -3.097 -1.8917 7.6603 3.1445 1.3825 -0.5192 -0.5047 -0.5196 1.5602 0.2896 0.5956 1.2199 -0.295 0.0993 0.6285 0.1323 0.014 0.4191 0.1207 0.3518 89.005 5.7495 37.2018 84 7.8754 0.5906 0.4489 1.8378 -2.2031 8.0501 0.6838 -0.8679 1.0454 1.0047 -0.096 -0.004 -0.6638 -0.0207 -0.5841 0.9023 -0.0469 -0.0548 0.615 0.23 0.5684 92.7426 6.4622 45.8295 85 6.1861 -3.3095 4.021 7.4017 -4.5622 5.5258 -0.2351 -0.1063 -0.2002 0.58 0.1182 -0.2777 -0.1715 0.0882 0.0826 0.3763 0.0259 -0.0067 0.2706 0.0401 0.1715 89.3688 19.8417 28.7889 86 8.7885 -4.2138 6.602 4.3985 -4.5432 8.0799 -0.1552 -0.0749 0.4255 -0.2159 -0.1686 -0.3877 0.5379 -0.036 0.3397 0.4214 -0.0062 -0.0589 0.2525 0.0211 0.2347 89.7085 22.1307 23.8237 87 5.7615 -1.2578 3.4562 6.1633 -4.7347 7.0875 0.1004 -0.0845 -0.0673 0.4527 -0.4521 -0.8069 0.1315 0.4241 0.5845 0.4782 0.0205 -0.0761 0.3203 0.05 0.3385 99.4736 16.2648 32.381 88 5.2602 -1.0791 3.4524 5.2098 -2.7627 5.6952 -0.1127 0.7534 -0.0046 -0.3856 -0.1467 -0.2386 0.4798 0.5806 0.0367 0.4136 0.0287 0.0502 0.3611 0.0471 0.2233 91.9821 14.263 19.2492 89 3.6502 2.0348 0.9971 3.1816 1.6103 0.7765 0.527 -0.3293 -1.99 -0.3275 -0.1316 0.7769 1.0121 -0.0264 0.0795 0.6275 -0.5243 -0.045 0.2748 0.2721 1.138 36.5485 5.5374 8.256 90 7.1344 -0.2042 0.1392 8.9737 -4.2457 9.1873 -0.445 -1.654 0.5865 0.5548 0.0274 -0.7779 -0.672 -0.3486 0.3669 0.4159 -0.0697 -0.0314 0.5118 -0.0281 0.4028 46.6213 20.816 16.9965 91 7.9353 7.0318 2.7445 8.9482 4.2254 7.39 0.0656 -0.8469 -0.2285 0.2349 -0.2417 1.6725 -0.0753 -1.0338 0.2082 0.3053 -0.127 0.07 0.4452 0.0446 0.7764 33.5225 16.0301 9.4082 92 1.1151 1.6718 -0.6767 5.2182 -0.6636 1.0418 0.0719 -0.5562 -0.8809 0.1402 -0.7346 1.5847 0.5368 -0.7955 0.3425 0.4989 -0.1307 0.23 0.8096 0.1548 1.2044 25.3905 9.4218 13.9494 93 8.5476 2.133 -0.3725 4.259 0.2862 3.2167 0.0636 -0.5101 -0.4151 -0.2414 -0.0325 0.0982 0.367 -0.1968 -0.0419 0.3312 -0.0771 0.0282 0.3027 0.0387 0.3093 47.1162 18.2359 8.8399 94 5.6122 3.2172 -1.709 5.6839 1.1509 2.6149 -0.1032 -0.6689 -0.6133 0.2048 -0.0085 1.0775 0.9634 -0.6842 0.0335 0.5148 -0.1882 -0.0166 0.5644 0.206 0.7778 40.6143 5.7199 10.2507 95 3.4808 2.3557 2.4568 3.8327 -0.494 5.4118 0.17 0.4581 -0.2048 -1.7264 -0.2125 0.2043 0.0765 -0.2036 0.1055 0.4849 0.0244 0.0232 0.2806 -0.0371 0.5004 44.2048 19.5283 0.1944 96 6.8014 5.1625 5.9077 6.9124 4.7562 8.0539 -1.0511 0.998 0.3798 -1.2088 -0.2554 0.1457 0.1375 -0.1645 0.8755 0.5133 -0.448 -0.2022 0.3342 0.0291 1.4038 31.7284 3.8778 1.1565 97 3.0145 1.5449 1.3196 2.1108 -0.2769 1.2549 -0.313 0.1929 0.6835 -0.9375 0.2272 0.255 -0.16 -0.1455 0.2478 0.4078 0.1468 -0.2599 0.9073 -0.4146 1.2151 19.8659 48.0375 -1.937 98 4.9872 -4.947 1.9206 5.1887 -2.1311 0.9513 -0.7906 -1.6862 -0.1091 0.9345 0.3957 0.8568 -0.5141 -1.1396 0.2745 0.3765 0.217 0.0893 0.7039 -0.1554 0.6368 24.2671 49.8997 12.9159 99 2.0422 1.6178 2.9286 8.4943 0.6299 5.9942 0.0688 -0.6451 0.0974 1.0173 -0.2098 1.0185 -0.2953 -0.5891 0.2667 0.3538 -0.0062 -0.0276 0.4539 -0.0906 0.473 37.2982 45.3541 13.8685 100 3.7432 -1.4568 -1.5453 2.6431 -0.0656 0.9449 -0.047 0.0033 -0.3583 -0.0261 0.0654 0.9253 -0.4193 -0.3671 -0.0209 0.3699 0.1376 -0.0896 0.5445 -0.2422 0.7565 24.2773 57.2617 7.6438 101 0.9937 -1.6848 1.0135 3.2061 -0.8757 4.0992 0.5329 -1.0796 0.7868 -0.5876 -0.1781 1.3403 -0.9161 -1.7241 -0.1698 0.8672 0.2715 -0.0175 1.198 -0.3059 1.1143 17.5719 53.0352 19.7964 102 3.49 -0.4266 -0.1136 2.5924 -0.2225 2.5055 -0.1033 -0.6964 0.3461 0.3268 0.035 0.6419 -0.1683 -0.4536 0.103 0.3711 0.1163 0.0547 0.5076 -0.214 0.6467 25.577 48.9954 9.7433 103 7.6839 0.7446 -0.2668 2.219 0.4871 1.4368 -0.0989 -0.0218 -0.9439 -0.0858 -0.1274 0.1877 -0.0369 -0.1934 0.1564 0.3157 0.0573 -0.0284 0.3551 -0.1059 0.4138 34.4256 45.5638 3.7591 104 4.3067 0.1873 1.7782 3.0283 0.0321 0.7366 0.3823 0.1955 -0.1392 0.1165 -0.3366 1.1867 -0.2261 -0.6688 0.0562 0.3672 -0.013 -0.1041 0.5674 -0.1578 0.8554 20.1788 44.3533 3.7787 105 7.1754 -0.8376 1.2826 3.9117 -0.2635 1.2678 -0.362 0.5378 0.5187 -0.9374 -0.0809 0.6045 -0.4574 -0.3805 0.0825 0.402 0.0667 -0.1497 0.4302 -0.1406 0.412 32.2617 52.1392 -2.1724
Refinement TLS group Show large table (4 x 105) Hide large table ID Refine-ID Refine TLS-ID Selection details 1 X-RAY DIFFRACTION 1 chain 'A' and (resid 4 through 9 )2 X-RAY DIFFRACTION 2 chain 'A' and (resid 10 through 28 )3 X-RAY DIFFRACTION 3 chain 'A' and (resid 29 through 34 )4 X-RAY DIFFRACTION 4 chain 'A' and (resid 35 through 49 )5 X-RAY DIFFRACTION 5 chain 'A' and (resid 50 through 81 )6 X-RAY DIFFRACTION 6 chain 'A' and (resid 82 through 108 )7 X-RAY DIFFRACTION 7 chain 'A' and (resid 109 through 119 )8 X-RAY DIFFRACTION 8 chain 'A' and (resid 120 through 134 )9 X-RAY DIFFRACTION 9 chain 'A' and (resid 135 through 159 )10 X-RAY DIFFRACTION 10 chain 'B' and (resid 4 through 9 )11 X-RAY DIFFRACTION 11 chain 'B' and (resid 10 through 28 )12 X-RAY DIFFRACTION 12 chain 'B' and (resid 29 through 34 )13 X-RAY DIFFRACTION 13 chain 'B' and (resid 35 through 49 )14 X-RAY DIFFRACTION 14 chain 'B' and (resid 50 through 77 )15 X-RAY DIFFRACTION 15 chain 'B' and (resid 78 through 89 )16 X-RAY DIFFRACTION 16 chain 'B'