SHEET DETERMINATION METHOD: DSSP THE SHEETS PRESENTED AS "AB" IN EACH CHAIN ON SHEET RECORDS BELOW ... SHEET DETERMINATION METHOD: DSSP THE SHEETS PRESENTED AS "AB" IN EACH CHAIN ON SHEET RECORDS BELOW IS ACTUALLY AN 6-STRANDED BARREL THIS IS REPRESENTED BY A 7-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS ARE IDENTICAL. THE SHEETS PRESENTED AS "BA" IN EACH CHAIN ON SHEET RECORDS BELOW IS ACTUALLY AN 6-STRANDED BARREL THIS IS REPRESENTED BY A 7-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS ARE IDENTICAL.
モノクロメーター: SI / 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 Å / 相対比: 1
反射
解像度: 2.2→25.65 Å / Num. obs: 12252 / % possible obs: 99.9 % / Observed criterion σ(I): 3 / 冗長度: 7.2 % / Rmerge(I) obs: 0.08 / Net I/σ(I): 6.5
反射 シェル
解像度: 2.2→2.32 Å / 冗長度: 7.5 % / Rmerge(I) obs: 0.12 / Mean I/σ(I) obs: 5.5 / % possible all: 100
-
解析
ソフトウェア
名称
バージョン
分類
REFMAC
5.5.0109
精密化
iMOSFLM
データ削減
SCALA
データスケーリング
REFMAC
位相決定
精密化
構造決定の手法: 分子置換 開始モデル: NON-PUBLISHED 解像度: 1.55→24.42 Å / Cor.coef. Fo:Fc: 0.929 / Cor.coef. Fo:Fc free: 0.917 / SU B: 1.523 / SU ML: 0.057 / 交差検証法: THROUGHOUT / ESU R: 0.093 / ESU R Free: 0.09 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. U VALUES REFINED INDIVIDUALLY
Rfactor
反射数
%反射
Selection details
Rfree
0.23781
1760
5.1 %
RANDOM
Rwork
0.21338
-
-
-
obs
0.21463
32775
99.65 %
-
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: 1.4 Å / 溶媒モデル: MASK