ENGINEERED RESIDUE IN CHAIN A, TRP 141 TO PHE ENGINEERED RESIDUE IN CHAIN A, PRO 142 TO ALA ...ENGINEERED RESIDUE IN CHAIN A, TRP 141 TO PHE ENGINEERED RESIDUE IN CHAIN A, PRO 142 TO ALA ENGINEERED RESIDUE IN CHAIN A, PHE 144 TO ALA ENGINEERED RESIDUE IN CHAIN A, GLY 171 TO ARG ENGINEERED RESIDUE IN CHAIN A, ALA 172 TO VAL ENGINEERED RESIDUE IN CHAIN A, LYS 175 TO GLY ENGINEERED RESIDUE IN CHAIN A, CYS 176 TO GLY ENGINEERED RESIDUE IN CHAIN A, VAL 245 TO ALA
-
実験情報
-
実験
実験
手法: X線回折 / 使用した結晶の数: 1
-
試料調製
結晶
マシュー密度: 2.31 Å3/Da / 溶媒含有率: 47 % / 解説: NONE
結晶化
温度: 281 K / 手法: 蒸気拡散法, シッティングドロップ法 詳細: 1 UL OF PROTEIN (5 MG/ML IN 25 MM TRIS-HCL PH 7.5, 150 MM AMMONIUM SULPHATE, 1 MM EDTA) WAS MIXED 1:1 WITH THE RESERVOIR (1 ML) CONSISTED OF 20 % PEG 6000, 0.1 M SODIUM ACETATE, 0.2 M ...詳細: 1 UL OF PROTEIN (5 MG/ML IN 25 MM TRIS-HCL PH 7.5, 150 MM AMMONIUM SULPHATE, 1 MM EDTA) WAS MIXED 1:1 WITH THE RESERVOIR (1 ML) CONSISTED OF 20 % PEG 6000, 0.1 M SODIUM ACETATE, 0.2 M AMMONIUM SULPHATE, 0.1 M TRIS-HCL PH 8.5-9.0. SITTING-DROP 281K.
-
データ収集
回折
平均測定温度: 120 K
放射光源
由来: 回転陽極 / タイプ: ENRAF-NONIUS FR591 / 波長: 1.5418
検出器
検出器: IMAGE PLATE / 日付: 2007年4月21日 / 詳細: MIRRORS
放射
モノクロメーター: MIRRORS / 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: 1.5418 Å / 相対比: 1
反射
解像度: 3→53.45 Å / Num. obs: 6389 / % possible obs: 97.9 % / Observed criterion σ(I): 3.7 / 冗長度: 3.4 % / Rmerge(I) obs: 0.14 / Net I/σ(I): 8.2
反射 シェル
解像度: 3→3.08 Å / 冗長度: 3.1 % / Rmerge(I) obs: 0.43 / Mean I/σ(I) obs: 2.3 / % possible all: 92.5
解像度: 3→53.45 Å / Cor.coef. Fo:Fc: 0.915 / Cor.coef. Fo:Fc free: 0.796 / SU B: 22.618 / SU ML: 0.422 / 交差検証法: THROUGHOUT / ESU R Free: 0.602 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. RESIDUES MET A 1 AND SER A 2 ARE DISORDERED. GLU A 3 DUE TO DISORDERED SIDE CHAIN IS SUBSTITUTED BY ALA. SIDE CHAINS OF ASP A 167 AND VAL A ...詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. RESIDUES MET A 1 AND SER A 2 ARE DISORDERED. GLU A 3 DUE TO DISORDERED SIDE CHAIN IS SUBSTITUTED BY ALA. SIDE CHAINS OF ASP A 167 AND VAL A 168 WERE MODELLED STEREOCHEMICALLY
Rfactor
反射数
%反射
Selection details
Rfree
0.267
712
11.2 %
RANDOM
Rwork
0.195
-
-
-
obs
0.203
5648
97.1 %
-
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