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: 0.979 Å / 相対比: 1
反射
解像度: 1.22→62.07 Å / Num. obs: 155347 / % possible obs: 91.87 % / 冗長度: 3.6 % / Biso Wilson estimate: 8.37 Å2 / Rmerge(I) obs: 0.086 / Net I/σ(I): 15.69
反射 シェル
解像度: 1.22→1.264 Å / 冗長度: 3.1 % / Rmerge(I) obs: 0.394 / Mean I/σ(I) obs: 2.75 / % possible all: 91.06
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解析
ソフトウェア
名称
バージョン
分類
HKL-2000
データ削減
HKL-2000
データスケーリング
REFMAC
5.8.0135
精密化
PDB_EXTRACT
3.24
データ抽出
PHASER
位相決定
精密化
構造決定の手法: 分子置換 / 解像度: 1.22→62.07 Å / Cor.coef. Fo:Fc: 0.976 / Cor.coef. Fo:Fc free: 0.969 / SU B: 0.557 / SU ML: 0.025 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.038 / ESU R Free: 0.039 詳細: 1. HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : REFINED INDIVIDUALLY 2. The unusual chirality concerning XYP 504 was due to that O4A atom of XYP 504 was captured by residue ...詳細: 1. HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : REFINED INDIVIDUALLY 2. The unusual chirality concerning XYP 504 was due to that O4A atom of XYP 504 was captured by residue ARG 246 and formed 3 H-bonds.