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: 1.06297 Å / 相対比: 1
反射
解像度: 1.8→29.01 Å / Num. obs: 22242 / % possible obs: 100 % / Observed criterion σ(I): 0 / 冗長度: 10.2 % / Rmerge(I) obs: 0.2 / Net I/σ(I): 2.8
反射 シェル
解像度: 1.8→1.9 Å / 冗長度: 10.5 % / Rmerge(I) obs: 0.66 / Mean I/σ(I) obs: 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
5.8.0049
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: 1.8→29.01 Å / Cor.coef. Fo:Fc: 0.951 / Cor.coef. Fo:Fc free: 0.932 / SU B: 2.554 / SU ML: 0.079 / 交差検証法: THROUGHOUT / ESU R: 0.118 / ESU R Free: 0.115 / 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
0.21165
1115
5 %
RANDOM
Rwork
0.17396
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-
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obs
0.17589
21084
99.75 %
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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: 1.2 Å / 溶媒モデル: MASK