解像度: 2.9→3.08 Å / 冗長度: 4 % / Rmerge(I) obs: 0.55 / Mean I/σ(I) obs: 1.4 / % possible all: 100
-
解析
ソフトウェア
名称
バージョン
分類
ADSC
Quantum
データ収集
PHASER
位相決定
PHENIX
(phenix.refine: 1.8.2_1309)
精密化
MOSFLM
データ削減
SCALA
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: 2.9→45.248 Å / SU ML: 0.43 / σ(F): 1.35 / 位相誤差: 36.12 / 立体化学のターゲット値: ML 詳細: THE HIGH REAL SPACE R FOR THE LIGAND (FVX), IS DUE TO THE WEAK DENSITY OF TWO ALKYL CHAINS OF THE LIGAND (THE DENSITY FOR THE PHENYL GROUP IS VERY STRONG). THE AUTHORS MODELED THE LIGAND ...詳細: THE HIGH REAL SPACE R FOR THE LIGAND (FVX), IS DUE TO THE WEAK DENSITY OF TWO ALKYL CHAINS OF THE LIGAND (THE DENSITY FOR THE PHENYL GROUP IS VERY STRONG). THE AUTHORS MODELED THE LIGAND POSITION BASED ON BOTH FO-FC AND 2FO-FC MAP. ALSO THE CURRENT POSITION AGREES WITH THE CHEMISTRY AND OTHER DRUGS POSITION THE AUTHORS DEPOSITED.
Rfactor
反射数
%反射
Selection details
Rfree
0.2718
710
5.02 %
random
Rwork
0.2304
-
-
-
obs
0.2324
14148
98.92 %
-
all
-
14312
-
-
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