SHEET DETERMINATION METHOD: DSSP THE SHEETS PRESENTED AS "AB", "BD" IN EACH CHAIN ON SHEET RECORDS ... SHEET DETERMINATION METHOD: DSSP THE SHEETS PRESENTED AS "AB", "BD" 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.
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: 1.0723 Å / 相対比: 1
反射
解像度: 3.02→70.71 Å / Num. obs: 15159 / % possible obs: 100 % / Observed criterion σ(I): -10 / 冗長度: 6.9 % / Biso Wilson estimate: 71.7 Å2 / Rmerge(I) obs: 0.12 / Net I/σ(I): 12.7
反射 シェル
解像度: 3.02→3.18 Å / Rmerge(I) obs: 0.7 / Mean I/σ(I) obs: 3.1 / % possible all: 100
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解析
ソフトウェア
名称
バージョン
分類
REFMAC
5.5.0102
精密化
MOSFLM
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: OTHER 開始モデル: NONE 解像度: 3.02→70.71 Å / Cor.coef. Fo:Fc: 0.942 / Cor.coef. Fo:Fc free: 0.904 / SU B: 14.115 / SU ML: 0.248 / 交差検証法: THROUGHOUT / ESU R: 0.562 / ESU R Free: 0.328 / 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 WERE REFINED INDIVIDUALLY.
Rfactor
反射数
%反射
Selection details
Rfree
0.23879
763
5 %
RANDOM
Rwork
0.18412
-
-
-
obs
0.18674
14395
100 %
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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: 1.4 Å / 溶媒モデル: BABINET MODEL WITH MASK