ENGINEERED RESIDUE IN CHAIN A, ASN 656 TO GLY ENGINEERED RESIDUE IN CHAIN A, ARG 686 TO GLN ...ENGINEERED RESIDUE IN CHAIN A, ASN 656 TO GLY ENGINEERED RESIDUE IN CHAIN A, ARG 686 TO GLN ENGINEERED RESIDUE IN CHAIN A, ARG 687 TO GLN
非ポリマーの詳細
(S)-(1-(2,6-DIFLUOROBENZAMIDO)ETHYL)BORONIC ACID (EO9): COVALENTLY BOND TO SER 460
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実験情報
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実験
実験
手法: X線回折 / 使用した結晶の数: 1
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試料調製
結晶
マシュー密度: 3.33 Å3/Da / 溶媒含有率: 63.04 % 解説: MOLECULAR REPLACEMENT MODEL 2BG1 WITHOUT RESIDUES 654 TO 660
解像度: 1.88→41.92 Å / Cor.coef. Fo:Fc: 0.959 / Cor.coef. Fo:Fc free: 0.94 / SU B: 7.84 / SU ML: 0.107 / 交差検証法: THROUGHOUT / ESU R: 0.154 / ESU R Free: 0.151 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT. U VALUES WITH TLS ADDED.
Rfactor
反射数
%反射
Selection details
Rfree
0.26403
5458
10.2 %
RANDOM
Rwork
0.22158
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obs
0.22578
48188
92.22 %
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溶媒の処理
イオンプローブ半径: 0.8 Å / 減衰半径: 0.8 Å / VDWプローブ半径: 1.2 Å / 溶媒モデル: BABINET MODEL WITH MASK