SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN ... SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN THE SHEET RECORDS BELOW, TWO SHEETS ARE DEFINED.
モノクロメーター: SI111 / 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: 2.2→68 Å / Num. obs: 43998 / % possible obs: 100 % / Observed criterion σ(I): 2 / 冗長度: 6.2 % / Rmerge(I) obs: 0.06 / Net I/σ(I): 19.4
反射 シェル
解像度: 2.2→2.32 Å / 冗長度: 6.1 % / Rmerge(I) obs: 0.69 / Mean I/σ(I) obs: 2.5 / % 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
5.2.0019
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: 2.2→97.13 Å / Cor.coef. Fo:Fc: 0.941 / Cor.coef. Fo:Fc free: 0.915 / SU B: 6.093 / SU ML: 0.156 / 交差検証法: THROUGHOUT / ESU R: 0.224 / ESU R Free: 0.204 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. CL 6 HAS BEEN ADDED UNREFINED WITH AN OCCUPANCY OF 0.25 IN A POSITION PARTIALLY OCCUPIED BY LIGAND RESIDUES 22-25 NEAR THE ACTIVE SITE IN ...詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. CL 6 HAS BEEN ADDED UNREFINED WITH AN OCCUPANCY OF 0.25 IN A POSITION PARTIALLY OCCUPIED BY LIGAND RESIDUES 22-25 NEAR THE ACTIVE SITE IN BOTH CHAINS APPEARS FLEXIBLE. ELECTRON DENSITY IS NOT WELL-DEFINED AND THIS IS REFLECTED IN THE GEOMETRY OF THE REGION.
Rfactor
反射数
%反射
Selection details
Rfree
0.276
2212
5 %
RANDOM
Rwork
0.227
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obs
0.23
41732
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: 1.2 Å / 溶媒モデル: MASK