ソフトウェア | 名称 | バージョン | 分類 |
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PHENIX | 1.19.2_4158精密化 | PDB_EXTRACT | 3.27 | データ抽出 | XDS | | データ削減 | Aimless | | データスケーリング | AutoSol | | 位相決定 | |
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精密化 | 構造決定の手法: 分子置換 開始モデル: 1W6U 解像度: 1.35→67.39 Å / SU ML: 0.1344 / 交差検証法: FREE R-VALUE / σ(F): 1.33 / 位相誤差: 16.4363 立体化学のターゲット値: GeoStd + Monomer Library + CDL v1.2
| Rfactor | 反射数 | %反射 |
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Rfree | 0.1598 | 2000 | 0.82 % |
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Rwork | 0.1512 | 241889 | - |
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obs | 0.1512 | 243889 | 99.74 % |
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溶媒の処理 | 減衰半径: 0.9 Å / VDWプローブ半径: 1.11 Å / 溶媒モデル: FLAT BULK SOLVENT MODEL |
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原子変位パラメータ | Biso mean: 25.27 Å2 |
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精密化ステップ | サイクル: LAST / 解像度: 1.35→67.39 Å
| タンパク質 | 核酸 | リガンド | 溶媒 | 全体 |
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原子数 | 8465 | 0 | 300 | 954 | 9719 |
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拘束条件 | Refine-ID | タイプ | Dev ideal | 数 |
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X-RAY DIFFRACTION | f_bond_d0.0083 | 8987 | X-RAY DIFFRACTION | f_angle_d1.0843 | 12228 | X-RAY DIFFRACTION | f_chiral_restr0.0778 | 1385 | X-RAY DIFFRACTION | f_plane_restr0.0098 | 1515 | X-RAY DIFFRACTION | f_dihedral_angle_d14.5099 | 3207 | | | | | |
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LS精密化 シェル | 解像度 (Å) | Rfactor Rfree | Num. reflection Rfree | Rfactor Rwork | Num. reflection Rwork | Refine-ID | % reflection obs (%) |
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1.35-1.38 | 0.2813 | 138 | 0.2705 | 16746 | X-RAY DIFFRACTION | 97.84 | 1.38-1.42 | 0.2258 | 143 | 0.2429 | 17149 | X-RAY DIFFRACTION | 99.58 | 1.42-1.46 | 0.2186 | 142 | 0.2224 | 17179 | X-RAY DIFFRACTION | 99.84 | 1.46-1.51 | 0.2195 | 141 | 0.2048 | 17131 | X-RAY DIFFRACTION | 99.88 | 1.51-1.56 | 0.2263 | 143 | 0.2021 | 17249 | X-RAY DIFFRACTION | 99.91 | 1.56-1.63 | 0.1798 | 143 | 0.1743 | 17266 | X-RAY DIFFRACTION | 99.91 | 1.63-1.7 | 0.1594 | 142 | 0.1569 | 17228 | X-RAY DIFFRACTION | 99.91 | 1.7-1.79 | 0.1695 | 143 | 0.1485 | 17255 | X-RAY DIFFRACTION | 99.92 | 1.79-1.9 | 0.1585 | 142 | 0.1518 | 17239 | X-RAY DIFFRACTION | 99.97 | 1.9-2.05 | 0.1333 | 143 | 0.1348 | 17355 | X-RAY DIFFRACTION | 99.98 | 2.05-2.26 | 0.1413 | 143 | 0.1272 | 17313 | X-RAY DIFFRACTION | 99.93 | 2.26-2.58 | 0.1268 | 144 | 0.1264 | 17401 | X-RAY DIFFRACTION | 99.89 | 2.58-3.25 | 0.151 | 146 | 0.1437 | 17502 | X-RAY DIFFRACTION | 99.97 | 3.25-67.39 | 0.1655 | 147 | 0.1517 | 17876 | X-RAY DIFFRACTION | 99.82 |
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精密化 TLS | 手法: refined / Refine-ID: X-RAY DIFFRACTION 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) |
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1 | 1.03492149238 | -0.265512646857 | -0.181439290401 | 0.662706674965 | -0.199108527104 | 0.136810398148 | 0.0474667833264 | -0.0206145960366 | 0.130642178049 | 0.05674207512 | -0.102368582403 | -0.22796730725 | -0.165352049191 | 0.255999087139 | 0.0300238742142 | 0.166054190447 | -0.0277454041564 | -0.00916258520758 | 0.210365879517 | 0.0102693229189 | 0.22817588315 | 0.92222038146 | -4.9694043814 | 25.6863815147 | 2 | 0.32937817338 | -0.0651747343137 | -0.031686049087 | 0.19874478311 | 0.00165990329376 | 0.000782396356901 | 0.00139128935169 | -0.0112698703906 | 0.00810463609653 | 0.0141711139025 | -0.0178946677382 | -0.0722852075805 | -0.0545758450197 | 0.0318440932849 | -0.0715129368593 | 0.156670194473 | -0.0108385484756 | 0.012327148644 | 0.163112251897 | 0.0140291941459 | 0.166093776222 | -12.7299838281 | 3.99606775576 | 18.8696023658 | 3 | 0.734004736552 | -0.803300629222 | -0.230663549952 | 0.822200541957 | 0.27332281293 | 1.09707857217 | 0.0592202914663 | 0.0411765729875 | 0.226000168475 | -0.059906794568 | 0.00896200909933 | 0.0227000372816 | -0.201235853225 | -0.0483819005957 | -0.192629889081 | 0.18231856941 | -0.0048887044777 | 0.0195908825894 | 0.129013611407 | 0.0136430550082 | 0.179359088297 | -20.2970683068 | 10.541410527 | 17.6563181589 | 4 | -0.0544445871842 | 0.146834481248 | -0.165823505149 | 0.41045973793 | -0.337314070434 | 0.175231628515 | 0.050545435143 | -0.0101590901827 | 0.0639222299619 | 0.110310662315 | -0.041269657537 | 0.00535229816485 | -0.287395281168 | 0.0358181263592 | -0.135542789064 | 0.197645178633 | 0.00430490061584 | 0.0197904844357 | 0.172446582212 | 0.000749000427881 | 0.146954670427 | -23.9623758319 | -1.40202160836 | 29.6629971729 | 5 | 0.375705442339 | 0.114660262096 | 0.269108708625 | 0.675512760682 | -0.266321169629 | 0.340469242341 | -0.0491410790253 | 0.0100267684476 | 0.0837251703593 | 0.0229953047822 | 0.0295530374894 | 0.162185729927 | -0.248062623664 | -0.315276742657 | -0.1315029126 | 0.178041566666 | 0.0252517770211 | 0.0185804745057 | 0.172545955113 | 0.0149890317794 | 0.157518171534 | -30.7668994876 | -1.74620694127 | 21.7512592246 | 6 | 0.27186085736 | 0.288460429553 | -0.125024435954 | 0.497585629362 | 0.0567896377655 | 0.200804382654 | -0.00119397569204 | -0.0323344962018 | 0.0470519617716 | -0.0328908164222 | -0.00137645194023 | -0.0114501372514 | -0.122016475415 | 0.0885329848772 | -0.0459370010737 | 0.148433748239 | 0.0167520161893 | 0.010949765601 | 0.160664563037 | 0.00531535811678 | 0.130892178555 | -20.7316080579 | -8.95978821984 | 25.5467411624 | 7 | 0.190120706888 | -0.149200978746 | 0.0354528403343 | 0.239044335405 | 0.0262718573978 | 0.221765492206 | 0.0566543919917 | -0.0394510810933 | 0.037216263943 | -0.0419398296637 | 0.0318973028992 | 0.0354488153839 | -0.0546521058818 | -0.0259273554188 | 0.0777754614805 | 0.153916634488 | -0.000638612998995 | 0.00870995123358 | 0.154703715963 | 0.00395404846204 | 0.13183977713 | -26.2428412147 | -11.4097398988 | 24.5970255698 | 8 | 0.521015676703 | -0.151367604465 | 0.143527477261 | 0.436389445313 | -0.329977264723 | 0.598407033926 | -0.018185825045 | -0.0684126211139 | 0.0435823894062 | 0.00719458183357 | 0.00251756999858 | -0.0342929302301 | -0.0264773738766 | -0.00599336646118 | 0.0822691086424 | 0.143063316363 | 0.00650958619218 | 0.0127433949466 | 0.171345524413 | 0.00351972713455 | 0.146144161364 | -11.4821856842 | -10.834911229 | 26.1088423216 | 9 | 0.457390715324 | 0.158453311475 | -0.031776468413 | 0.741526823429 | -0.110256864994 | 0.0273822132037 | -0.133994657363 | -0.314655478907 | 0.20495281815 | 0.513746398513 | 0.080818013126 | -0.155654994526 | 0.0948023513731 | 0.419576429802 | 0.012697045378 | 0.355048116876 | 0.0781044447717 | -0.0648678786229 | 0.464692870247 | -0.0047437790834 | 0.213908898888 | 1.36582720843 | -27.4330460613 | 49.1076069616 | 10 | 0.833899446852 | -0.141391196513 | 0.121980110211 | 0.778872297212 | 0.510053580672 | 0.646072829495 | -0.00433679879892 | -0.180015883455 | -0.197900241678 | 0.318532702692 | 0.0684440714362 | 0.00703097086685 | 0.160251933226 | 0.00523038868577 | 0.0368955461554 | 0.249304464476 | 0.00761637777599 | 0.0506200409309 | 0.200330856946 | 0.0545402980003 | 0.176771702416 | -32.3318370195 | -35.7279735183 | 50.52383711 | 11 | 0.0758097601291 | 0.0512474051638 | -0.120284657756 | 0.21907684692 | -0.049148009828 | 0.191443553389 | -0.0399923105329 | -0.0266392448508 | -0.153221034307 | 0.0180768666675 | 0.00891340726469 | 0.08243982635 | 0.156717785842 | -0.052847334508 | 0.0347670408567 | 0.243543900541 | 0.0164935347851 | 0.0445103487079 | 0.169267302157 | 0.0439766254095 | 0.230718908777 | -25.8492477993 | -49.5209359649 | 41.9123962207 | 12 | 0.186813518175 | 0.0674508860894 | 0.036079257985 | 0.164436139591 | 0.124204352257 | 0.128690046586 | -0.174838979971 | -0.305384499891 | -0.609521969336 | 0.107568574067 | 0.0628734900896 | 0.032885557487 | 0.261080582925 | 0.0573959278915 | 2.86867524023E-5 | 0.316418321064 | 0.0598222561674 | 0.0729750431249 | 0.234851708334 | 0.123808648707 | 0.322972516461 | -22.5894802351 | -56.1203951085 | 45.4003997467 | 13 | 0.161704502655 | -0.0624784967528 | -0.0137634121831 | 0.406949003287 | 0.165022539947 | 0.242775655519 | -0.0501442001432 | -0.0809153480863 | -0.328730157008 | 0.0320090729517 | 0.0288810627881 | 0.0463113851703 | 0.303387708097 | 0.15906382004 | 0.110477441623 | 0.343576424604 | 0.0614141553325 | 0.0523559360336 | 0.182689455767 | 0.0451272341167 | 0.344450566242 | -17.7382060975 | -58.2171320462 | 33.8307236693 | 14 | 0.35754271125 | 0.211045601076 | -0.111444270196 | 0.471495948624 | -0.144715260341 | 0.380011321093 | 0.0563817203621 | -0.0995862165774 | -0.232352153288 | 0.13289141858 | -0.0641166455937 | -0.071064403095 | 0.155743533172 | 0.0848542598928 | -0.292831736404 | 0.201519264269 | 0.0442554165012 | 0.00998189158149 | 0.188577367833 | 0.0336751517791 | 0.213131406946 | -11.8700603054 | -42.1892953041 | 37.1392989699 | 15 | 0.106177035715 | -0.102016073361 | -0.0731833562331 | 0.351177317626 | 0.0562881946407 | 0.269978356235 | -0.0311509951512 | 0.1683935182 | -0.369410652958 | -0.110557756229 | 0.0731536213168 | -0.257376485496 | 0.207303059765 | 0.202174151829 | -0.090912820415 | 0.252164549065 | 0.0451983823955 | 0.0263118911674 | 0.174061473149 | 0.0131544121334 | 0.253568739772 | -12.7687478441 | -47.3735691414 | 28.1061212661 | 16 | 0.32695419942 | -0.199331508733 | -0.0771745224183 | 0.284745383266 | -0.178335555266 | 0.300095886958 | 0.00109183888347 | -0.0643329516126 | -0.0727485981647 | 0.0393889914819 | -0.0182947682196 | 0.0265670735664 | 0.137917441062 | 0.0665280610775 | 0.00675761931617 | 0.166372069037 | 0.0260125474577 | 0.0174958448045 | 0.166671214535 | 0.00961839433881 | 0.163090522179 | -18.599857021 | -37.2052700576 | 33.4792946192 | 17 | 0.170399859196 | -0.0449530405103 | -0.0923487259862 | 0.0949305296277 | 0.0457818601917 | 0.176005136112 | 0.0181951174869 | -0.0731944551428 | -0.19259783792 | -0.0264995948725 | -0.00332193044198 | -0.0463499184189 | 0.144647985057 | 0.0694923211795 | -0.0645398534672 | 0.17716341604 | 0.0236233057152 | 0.0138426248503 | 0.163123891989 | 0.016518749455 | 0.166034179889 | -15.9766569738 | -36.7677263357 | 27.9271699792 | 18 | 0.261283149914 | -0.0100727707793 | -0.0469094620318 | 0.0636678283442 | -0.0121677151287 | 0.0154924653739 | -0.0391640976513 | 0.0255597469949 | -0.0544867491257 | -0.0424398165823 | 0.0583639091404 | -0.0243540670275 | 0.0917871718545 | 0.105069507883 | -0.0791538026978 | 0.207211052486 | 0.0050369086711 | 0.0339012137753 | 0.149469550036 | -0.00293473537923 | 0.178810830612 | -26.1401841698 | -41.4135670246 | 26.0200194401 | 19 | 0.121706462114 | -0.0145152664564 | 0.046020973829 | 0.053981477935 | 0.0497139565664 | 0.0731197159945 | -0.0237670737196 | -0.809893727942 | 0.00665786058244 | 0.329343535433 | -0.136122011457 | -0.527277731923 | -0.0128650742003 | 0.579680908464 | 0.00048192028267 | 0.39206667205 | -0.0068383615204 | -0.0429242323373 | 0.577033585568 | 0.0268030118674 | 0.396262253208 | -14.4979399244 | -28.4619115251 | 52.2542423707 | 20 | 0.40583738307 | -0.0149456941477 | 0.0539423517069 | 0.472186969435 | -0.233005912342 | 0.453212196696 | -0.0178350764742 | -0.0872988586259 | -0.135026147143 | 0.137321465298 | 0.0556740046818 | 0.0673501883249 | 0.191702909443 | 0.0388377234778 | 0.160844765396 | 0.200348305439 | 0.0204697623886 | 0.0265875214764 | 0.189318422043 | 0.0334863140338 | 0.166346464237 | -27.3114072395 | -35.3954152823 | 45.9943479224 | 21 | 0.196644650443 | 0.0782762172529 | -0.0952619161169 | 0.239880444419 | -0.113435773358 | 0.260286357363 | -0.0638092857422 | -0.00962637346211 | -0.0605001255475 | -0.0252831349931 | 0.0242049199214 | 0.0651637062849 | 0.0500947308008 | 0.034381481406 | -0.00788349218132 | 0.160266991153 | 0.00737205076753 | 0.0194471926669 | 0.167947938444 | 0.0108587846805 | 0.168730836414 | -26.3653611874 | -29.5433625868 | 36.5636095292 | 22 | 0.18855323362 | -0.120236511707 | -0.150775158775 | 0.492734623084 | 0.0352582945171 | 0.144854372208 | -0.0963488300786 | -0.483208668473 | 0.236805989584 | 0.408976807322 | 0.0522773539788 | -0.359746010902 | -0.182079681201 | 0.0754203805428 | -0.00538271504417 | 0.338074480365 | 0.00780975886825 | -0.0424252845652 | 0.362095854229 | -0.0956164759999 | 0.21134772124 | -21.2043816368 | -4.83965845369 | 52.0360786163 | 23 | 0.544274927833 | 0.052221726882 | 0.191717818892 | 1.13900856273 | -0.0933223718097 | 0.721400041267 | 0.0364965130846 | 0.243602817006 | 0.087054634542 | -0.257615365896 | -0.043932189616 | -0.187918418153 | 0.0408958555935 | 0.116471768485 | 0.088159025513 | 0.206409040751 | 0.0182523491689 | 0.0544376354664 | 0.227760308285 | 0.0342143169449 | 0.156681520005 | -6.91108334424 | -12.6391509243 | 5.66142988792 | 24 | 0.0309173506489 | -0.0576646920581 | 0.0276446574193 | 0.215518541214 | -0.221845349667 | 0.253023831161 | -0.0067619263602 | -0.0195916288927 | 0.0413465065883 | -0.158063458202 | -0.0560258991888 | -0.179572330013 | 0.05102033044 | 0.12832783836 | 0.0194924500113 | 0.196929312002 | 0.0471122962832 | 0.0676398892626 | 0.235334104173 | 0.042018547049 | 0.241644971475 | 5.6623206232 | -22.5840504631 | 13.2592623259 | 25 | 0.40205068197 | -0.417515208227 | 0.0103127854713 | 0.684513521905 | 0.293687695309 | 0.407695863695 | -0.00672596190473 | 0.0146999021173 | 0.000189264036081 | -0.297014274209 | -0.149776952384 | -0.521225810343 | 0.244676142936 | 0.276754242673 | 0.0754458369906 | 0.253935838918 | 0.0963627815159 | 0.130356619582 | 0.281072510598 | 0.0624891804789 | 0.297011510585 | 12.0908266399 | -30.0040169447 | 15.2937181032 | 26 | 0.373959056872 | 0.0725562512597 | -0.251895499149 | 0.16870285437 | -0.11235590497 | 0.359848404291 | -0.0882824974178 | 0.185062271568 | -0.133391582322 | -0.184060709635 | 0.0773630201318 | -0.237049523547 | 0.11864878387 | 0.163101966961 | -0.264322891073 | 0.210287053233 | 0.049468824261 | 0.0429276603142 | 0.203476233421 | 0.00336885400979 | 0.220559329926 | -4.13642416915 | -35.0038629173 | 17.7680575365 | 27 | 0.557108862342 | -0.316311943546 | -0.0639141896784 | 0.288932990906 | -0.0347404329888 | 0.313594272211 | 0.0959632884415 | 0.0123451201021 | -0.434087713762 | 0.132286534667 | -0.00913409382252 | -0.401638386923 | 0.226120105563 | 0.187062432104 | -0.358413634269 | 0.181284530422 | 0.0565466997297 | 0.0338668413567 | 0.219954518623 | 0.0105765134669 | 0.241065632017 | 1.39761482402 | -35.8790561078 | 26.5968476063 | 28 | 0.152486097296 | 0.0174280755288 | -0.149967632464 | 0.488619689858 | -0.171638839997 | 0.1916160857 | -0.0679520825691 | 0.0288284516028 | 0.0402536389691 | -0.132270471993 | -0.0018362314084 | -0.0398540950682 | 0.0814061940966 | 0.117311928953 | -0.0309238089463 | 0.173635996696 | 0.030497697315 | 0.0228412937045 | 0.182844761184 | 0.00716312894073 | 0.174627950232 | -7.47702433875 | -27.5991284395 | 21.9912385201 | 29 | 0.136537140785 | 0.00693128781664 | -0.119838641922 | 0.166717936071 | -0.0252224257606 | 0.11972884127 | -0.028862879026 | -0.0228193144703 | -0.124596942117 | -0.0559675414537 | 0.0311048096328 | -0.18881183207 | 0.115594390247 | 0.121302352105 | -0.061119441505 | 0.175226815247 | 0.0286668330336 | 0.0221271145267 | 0.183761021751 | 0.00617888749458 | 0.160383028536 | -8.18111493017 | -30.3765196291 | 27.4199459288 | 30 | 0.717237418223 | -0.262548536978 | -0.0728274067139 | 1.17695322247 | -0.711479300856 | 0.50183827092 | 0.0631299927204 | 0.112835811464 | -0.18781521183 | -0.282273293092 | 0.0306597940536 | 0.0463752099432 | 0.260690173994 | 0.0234170161286 | 0.0113666937281 | 0.196480848141 | 0.0171777685162 | 0.0154308691585 | 0.185744859549 | -0.00108226278732 | 0.168045061472 | -8.87318490028 | -24.3596773033 | 17.0535392729 | 31 | 0.198054598061 | -0.0831017805974 | 0.0188539309538 | 0.29247102601 | 0.0107966719949 | 0.198632445819 | 0.0449267405989 | 0.12046359613 | -0.0467416232454 | -0.1089616473 | -0.0056294584426 | -0.136074109913 | 0.13154906564 | 0.184460250306 | -0.0121308478669 | 0.178756996487 | 0.0208949650987 | 0.0294246280201 | 0.193244288128 | 0.00636926547294 | 0.157147067993 | -8.01621884988 | -17.8759778744 | 10.0168637912 | 32 | 0.101180325252 | 0.0155326057222 | -0.0812103950001 | 0.324424899322 | -0.111400215989 | 0.0816389445412 | 0.00254969483438 | -0.0170601027364 | -0.0230779704066 | -0.0501726284678 | -0.00703974414525 | -0.0717961347733 | 0.0424043480248 | 0.0325977084572 | -0.000609601642692 | 0.1520840387 | 0.0100727419025 | 0.0168638386571 | 0.172634391118 | 0.00726806210998 | 0.15827190902 | -10.8122354072 | -17.5155643859 | 20.1161258805 | 33 | 0.669005774751 | -0.272646546395 | -0.0136078574568 | 0.25619764631 | -0.279008538337 | 0.686698697153 | -0.0438947870821 | 0.191197645232 | -0.179590208902 | -0.592275015904 | -0.286816091825 | 0.461624650586 | 0.210731190754 | -0.238169273441 | -0.179490469689 | 0.324980418775 | 0.013973348732 | -0.169631357515 | 0.265850983804 | -0.0717057263381 | 0.272142181248 | -37.9235071401 | -18.5634950033 | 7.0527285747 | 34 | 0.355521737343 | 0.0675256844592 | -0.260019482867 | 0.975367381479 | -0.240696533909 | 0.55199398111 | -0.0488863263928 | 0.11352155215 | -0.0937929342985 | 0.0801497385654 | 0.0374277955735 | 0.288528167635 | 0.249033119358 | -0.385602919576 | 0.0727249348167 | 0.210408769054 | -0.0375387313916 | 0.0393290195576 | 0.205095893208 | 0.00561730294543 | 0.25959675764 | -42.5145495365 | -40.6555381087 | 31.2488054365 | 35 | 0.0917536908231 | 0.00155834290521 | -0.0388190512978 | 0.39476320784 | 0.117231834902 | 0.0560191476712 | -0.0392013081104 | -0.0479715867188 | -0.0671980196595 | 0.123336350186 | -0.00768936981126 | 0.35244839571 | 0.11124456384 | -0.127386314388 | -0.0984333978975 | 0.161566891366 | -0.0209696810205 | 0.0472219116371 | 0.202973027265 | 0.0115882110366 | 0.257112973469 | -48.186391469 | -25.7579351561 | 38.648160133 | 36 | 0.229496472651 | -0.0679741087123 | -0.117146482665 | 0.290162354577 | 0.132274483216 | 0.43399387663 | -0.0551482839279 | 0.0720571589283 | -0.153546205306 | 0.150932100019 | 0.102890767547 | 0.647787362643 | 0.0338376914765 | -0.277837473208 | -0.18894133675 | 0.129445197072 | -0.020424717067 | 0.0466135331262 | 0.275157161427 | 0.0220009906137 | 0.422924916111 | -55.7546987867 | -22.8383564802 | 38.2915024348 | 37 | 0.390038658089 | -0.0112484838454 | -0.261133205234 | 0.686704125713 | 0.0768688693669 | 0.354676362136 | -0.0329057349185 | 0.0331780735493 | 0.0227634766307 | 0.083826990924 | 0.0322642854096 | 0.270638462501 | -0.00794801795721 | -0.192859341765 | -0.297415955374 | 0.129766195587 | 0.0150240268829 | 0.0335860605902 | 0.200104138737 | 0.0192726897571 | 0.244167766154 | -46.2376741866 | -13.466495093 | 36.244679569 | 38 | 0.21031552565 | 0.0287807532732 | -0.280208136289 | 0.527026910301 | 0.0621591628566 | 0.402500897445 | 0.0493757059921 | 0.0459237902931 | 0.0917195644662 | 0.142816501764 | -0.0106104902059 | 0.178136630847 | -0.342639094097 | -0.222463169042 | -0.239046180745 | 0.151938889509 | 0.0282457226023 | 0.0429852286201 | 0.199951344576 | 0.0252725622677 | 0.182229543144 | -38.8481034354 | -9.06962037813 | 36.4699961528 | 39 | 0.106848393402 | 0.0612704794447 | -0.126511900046 | 0.473705969018 | -0.146322525704 | 0.151416062169 | -0.0292415696867 | -0.0214496953591 | 0.0124065119437 | -0.0134625812839 | 0.00436326185263 | 0.105795882395 | 0.105338764514 | -0.0561407085575 | -0.0627917928602 | 0.145661731316 | 0.00357443434327 | 0.00906644558352 | 0.176611896687 | 0.0116587116975 | 0.152920966686 | -34.1153235802 | -20.2444370699 | 31.7155280988 | 40 | 0.0958787336436 | 0.00648235760803 | 0.0905558542767 | 0.273975622899 | -0.0615155583049 | 0.268895616261 | 0.0183628448559 | -0.0790177872424 | -0.0182755425369 | 0.0314671048866 | 0.0797171706324 | 0.1019906214 | -0.0312162450535 | -0.134717256691 | 0.0198900482818 | 0.147179043655 | 0.0106031964327 | 0.00860334881353 | 0.175240573022 | 0.0135734131715 | 0.144689567528 | -30.5460159504 | -15.2969203807 | 32.8249278348 | 41 | 0.839042447675 | 0.226854389834 | -0.101079473932 | 1.5001785457 | -0.343044326852 | 0.784799718238 | -0.0781808857472 | 0.156791593663 | -0.063084828109 | -0.291442781955 | 0.0582673248313 | 0.246431202262 | 0.107027296629 | -0.0694519090845 | 0.253742432164 | 0.163535479198 | -0.00797127645519 | -0.00508383620121 | 0.171478276068 | 0.0121241356912 | 0.17326029919 | -36.0882347504 | -25.5269701232 | 28.8467814885 | 42 | 0.356383120303 | 0.0746139644414 | -0.089607672716 | 0.230558215906 | 0.0256486862979 | 0.165609381949 | -0.0501476928063 | -0.0284989671085 | -0.0130839810231 | -0.00833261738908 | -0.0464155127841 | 0.193087199132 | 0.0408167561847 | -0.165085577292 | -0.0119317717809 | 0.166460488718 | -0.0149522784076 | 0.00485747166178 | 0.171458624122 | 0.00253680703162 | 0.196801453401 | -39.9708471614 | -34.2654818761 | 29.7400081435 | 43 | 0.0776911853094 | -0.0303237641969 | -0.106971757226 | 0.439305363026 | -0.0239636570482 | 0.134293177849 | -0.0378431240525 | -0.028670783897 | -0.0321223429296 | 0.026638991291 | 0.00985836115843 | 0.0765093358551 | 0.023815822354 | -0.0177300159767 | -0.0562774666744 | 0.159235583221 | -0.00323986623238 | 0.0228187466547 | 0.170611114143 | 0.0136510793821 | 0.162866307449 | -29.5720609024 | -30.512089753 | 30.9761208486 | 44 | 1.12494402063 | 0.464795472694 | 0.0527616403885 | 0.990423520661 | 0.419936034668 | 0.207781992912 | 0.0395019538171 | 0.474727860591 | 0.0576861479063 | -0.488535115508 | -0.0411979134005 | 0.22281930437 | 0.0557255609688 | 0.0253599020984 | 0.0489042439839 | 0.452601605878 | 0.0126221125485 | -0.00953640295018 | 0.261197897531 | -0.0569294948152 | 0.14861357184 | -22.0153157925 | -43.9307757645 | 5.98255739807 |
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精密化 TLSグループ | Refine-ID: X-RAY DIFFRACTION ID | Refine TLS-ID | Selection details | Auth asym-ID | Label asym-ID | Auth seq-ID | Label seq-ID |
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1 | 1 | chain 'A' and (resid 35 through 58 )AA35 - 58 | 1 - 24 | 2 | 2 | chain 'A' and (resid 59 through 81 )AA59 - 81 | 25 - 47 | 3 | 3 | chain 'A' and (resid 82 through 134 )AA82 - 134 | 48 - 100 | 4 | 4 | chain 'A' and (resid 135 through 157 )AA135 - 157 | 101 - 123 | 5 | 5 | chain 'A' and (resid 158 through 186 )AA158 - 186 | 124 - 152 | 6 | 6 | chain 'A' and (resid 187 through 207 )AA187 - 207 | 153 - 173 | 7 | 7 | chain 'A' and (resid 208 through 227 )AA208 - 227 | 174 - 193 | 8 | 8 | chain 'A' and (resid 228 through 311 )AA228 - 311 | 194 - 263 | 9 | 9 | chain 'A' and (resid 312 through 326 )AA312 - 326 | 264 - 278 | 10 | 10 | chain 'B' and (resid 35 through 58 )BB35 - 58 | 1 - 24 | 11 | 11 | chain 'B' and (resid 59 through 81 )BB59 - 81 | 25 - 47 | 12 | 12 | chain ' | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | |
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