SHEET DETERMINATION METHOD: DSSP THE SHEETS PRESENTED AS "AA" IN EACH CHAIN ON SHEET RECORDS BELOW ... SHEET DETERMINATION METHOD: DSSP THE SHEETS PRESENTED AS "AA" IN EACH CHAIN ON SHEET RECORDS BELOW IS ACTUALLY AN 8-STRANDED BARREL THIS IS REPRESENTED BY A 9-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: 0.933 Å / 相対比: 1
反射
解像度: 1.2→15 Å / Num. obs: 60648 / % possible obs: 99.9 % / 冗長度: 6.4 % / Biso Wilson estimate: 7.81 Å2 / Rmerge(I) obs: 0.079 / Net I/σ(I): 26.7
反射 シェル
解像度: 1.2→1.24 Å / 冗長度: 7.7 % / Rmerge(I) obs: 0.171 / Mean I/σ(I) obs: 7.7 / % possible all: 99.6
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解析
ソフトウェア
名称
バージョン
分類
DENZO
データ削減
SCALEPACK
データスケーリング
SHARP
位相決定
SOLOMON
位相決定
REFMAC
5.1.24
精密化
精密化
構造決定の手法: 単一同系置換・異常分散 / 解像度: 1.2→15 Å / Cor.coef. Fo:Fc: 0.961 / Cor.coef. Fo:Fc free: 0.96 / SU B: 0.306 / SU ML: 0.015 / 交差検証法: THROUGHOUT / ESU R: 0.035 / ESU R Free: 0.035 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. THE LAST ROUND OF REFINEMENT WAS CARRIED OUT AGAINST ALL DATA. RFREE VALUES ARE THOSE RECORDED AFTER THE PENULTIMATE REFINEMENT ROUND.
Rfactor
反射数
%反射
Selection details
Rfree
0.162
3022
5.1 %
RANDOM
Rwork
0.147
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obs
0.147
60556
99.8 %
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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