モノクロメーター: Varimax-HF / プロトコル: SINGLE WAVELENGTH / 単色(M)・ラウエ(L): M / 散乱光タイプ: x-ray
放射波長
波長: 1.5416 Å / 相対比: 1
反射
解像度: 2.5→50 Å / Num. obs: 7346 / % possible obs: 94.3 % / 冗長度: 4.2 % / Rmerge(I) obs: 0.034 / Net I/σ(I): 25.9
反射 シェル
解像度 (Å)
冗長度 (%)
Rmerge(I) obs
% possible all
2.5-2.59
2.5
0.138
89.4
2.59-2.69
3.4
0.105
96.3
2.69-2.82
4.4
0.103
100
2.82-2.96
4.6
0.076
100
2.96-3.15
4.6
0.055
100
3.15-3.39
4.6
0.049
100
3.39-3.73
4.2
0.047
65
3.73-4.27
3.9
0.034
92.7
4.27-5.38
4.5
0.026
99.4
5.38-50
4.6
0.029
99.4
-
位相決定
位相決定
手法: 分子置換
-
解析
ソフトウェア
名称
バージョン
分類
NB
DENZO
データ削減
SCALEPACK
データスケーリング
PHASER
位相決定
PHENIX
1.5_2
精密化
PDB_EXTRACT
3.005
データ抽出
StructureStudio
データ収集
精密化
構造決定の手法: 分子置換 / 解像度: 2.5→29.665 Å / Occupancy max: 1 / Occupancy min: 0.5 / SU ML: 0.15 / σ(F): 1.97 / 位相誤差: 38.61 / 立体化学のターゲット値: ML 詳細: To obtain the best possible geometry, this structure was refined with hydrogens whose coordinates were determined by the attached heavy atom. Authors state that although hydrogens cannot be ...詳細: To obtain the best possible geometry, this structure was refined with hydrogens whose coordinates were determined by the attached heavy atom. Authors state that although hydrogens cannot be visualized at this resolution, they are present and contribute to scattering. The hydrogens are kept in this entry because independent assessment of many aspects of the geometry, including steric clashes, require their presence. Moreover, removing hydrogen atoms after refinement makes independent assessment of refinement statistics effectively irreproducible.
Rfactor
反射数
%反射
Rfree
0.2413
335
4.58 %
Rwork
0.2118
-
-
obs
0.2133
7320
93.97 %
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 / Bsol: 58.572 Å2 / ksol: 0.356 e/Å3