解像度: 1.95→1.98 Å / 冗長度: 5.6 % / Rmerge(I) obs: 0.668 / Mean I/σ(I) obs: 2.2 / % possible all: 100
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解析
ソフトウェア
名称
バージョン
分類
Blu-Ice
データ収集
PHASER
位相決定
REFMAC
5.6.0117
精密化
DENZO
データ削減
SCALEPACK
データスケーリング
精密化
構造決定の手法: 分子置換 / 解像度: 1.95→32.9 Å / Cor.coef. Fo:Fc: 0.953 / Cor.coef. Fo:Fc free: 0.928 / SU B: 8.865 / SU ML: 0.135 / 交差検証法: THROUGHOUT / ESU R: 0.186 / ESU R Free: 0.172 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT. LARGE UNACCOUNTED FOR ELECTRON DENSITY PRESENT NEAR (-9.427, 14.785, 50.439). There are several strong positive electron density features ...詳細: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT. LARGE UNACCOUNTED FOR ELECTRON DENSITY PRESENT NEAR (-9.427, 14.785, 50.439). There are several strong positive electron density features that the authors were unable to identify. These are close to side chains L55, H181 and H214.
Rfactor
反射数
%反射
Selection details
Rfree
0.26411
1752
5 %
RANDOM
Rwork
0.21431
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-
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obs
0.2169
33113
99.95 %
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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