- PDB-4weq: Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate r... -
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基本情報
登録情報
データベース: PDB / ID: 4weq
タイトル
Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase SMc02828 (SmGhrA) from Sinorhizobium meliloti in complex with NADP and sulfate
要素
NAD-dependent dehydrogenase
キーワード
OXIDOREDUCTASE / NADP-dependent dehydrogenase / Structural Genomics / NYSGRC / PSI-Biology / New York Structural Genomics Research Consortium
温度: 289 K / 手法: 蒸気拡散法, シッティングドロップ法 詳細: 0.2 ul of 12 mg/ml protein in 20 mM HEPES pH 7.5, 150 mM NaCl, 10% Glycerol, 0.1% Sodium Azide, 0.5 mM TCEP, and 5 mM NADP were mixed with 0.2 ul of the MCSG-I condition #6 (0.2 M Ammonium ...詳細: 0.2 ul of 12 mg/ml protein in 20 mM HEPES pH 7.5, 150 mM NaCl, 10% Glycerol, 0.1% Sodium Azide, 0.5 mM TCEP, and 5 mM NADP were mixed with 0.2 ul of the MCSG-I condition #6 (0.2 M Ammonium Sulfate 0.1 M Bis-Tris:HCl pH 5.5 25% (w/v) PEG 3350) and equilibrated against 1.5 M NaCl solution in 96 Well 3 drop Crystallization Plate (Swissci). Before crystallization, the protein-ligand mixture was incubated with 1/40 v/v of 2 mg/ml chymotrypsin solution at 289 K for 3 hours PH範囲: 5.5-7.5
構造決定の手法: 分子置換 / 解像度: 2→50 Å / Cor.coef. Fo:Fc: 0.975 / Cor.coef. Fo:Fc free: 0.956 / WRfactor Rfree: 0.1886 / WRfactor Rwork: 0.1534 / FOM work R set: 0.8698 / SU B: 5.645 / SU ML: 0.084 / SU R Cruickshank DPI: 0.1059 / SU Rfree: 0.1117 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.106 / ESU R Free: 0.112 / SU Rfree Cruickshank DPI: 0.1117 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: U VALUES : WITH TLS ADDED HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
反射数
%反射
Selection details
Rfree
0.1962
1769
4.8 %
RANDOM
Rwork
0.1543
35220
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obs
0.1561
35220
99.92 %
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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