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.
ENGINEERED RESIDUE IN CHAIN A, VAL 139 TO ALA ENGINEERED RESIDUE IN CHAIN A, ASN 295 TO SER ...ENGINEERED RESIDUE IN CHAIN A, VAL 139 TO ALA ENGINEERED RESIDUE IN CHAIN A, ASN 295 TO SER ENGINEERED RESIDUE IN CHAIN A, THR 413 TO ALA ENGINEERED RESIDUE IN CHAIN B, VAL 139 TO ALA ENGINEERED RESIDUE IN CHAIN B, ASN 295 TO SER ENGINEERED RESIDUE IN CHAIN B, THR 413 TO ALA
モノクロメーター: DOUBLE CRYSTAL MONOCHROMATOR / 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: 0.8984 Å / 相対比: 1
反射
解像度: 1.65→94.49 Å / Num. obs: 113622 / % possible obs: 94.1 % / Observed criterion σ(I): 0 / 冗長度: 5.7 % / Rmerge(I) obs: 0.07 / Net I/σ(I): 15
反射 シェル
解像度: 1.65→1.75 Å / Rmerge(I) obs: 0.41 / Mean I/σ(I) obs: 2.6 / % possible all: 72.9
-
解析
ソフトウェア
名称
バージョン
分類
REFMAC
5.2.0019
精密化
XDS
データ削減
SCALEPACK
データスケーリング
SOLVE
RESOLVE
位相決定
精密化
構造決定の手法: 単波長異常分散 開始モデル: NONE 解像度: 1.68→94.49 Å / Cor.coef. Fo:Fc: 0.964 / Cor.coef. Fo:Fc free: 0.952 / SU B: 1.906 / SU ML: 0.064 / 交差検証法: THROUGHOUT / ESU R: 0.093 / ESU R Free: 0.091 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD / 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
Rfactor
反射数
%反射
Selection details
Rfree
0.20744
5643
5 %
RANDOM
Rwork
0.18115
-
-
-
obs
0.18249
107604
99.25 %
-
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