- PDB-4z0p: 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: 4z0p
タイトル
Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase SMc02828 (SmGhrA) from Sinorhizobium meliloti in complex with NADPH and oxalate
要素
NAD-dependent dehydrogenase
キーワード
OXIDOREDUCTASE / New York Structural Genomics Research Consortium / NADPH / oxalate / PSI-Biology / NYSGRC / structural genomics
温度: 289 K / 手法: 蒸気拡散法 / pH: 7 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, 5 mM NADPH, and 50 mM oxalic acid pH=7.0 were mixed with 0.2 ul of the MCSG Suite ...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, 5 mM NADPH, and 50 mM oxalic acid pH=7.0 were mixed with 0.2 ul of the MCSG Suite 2 condition #28 (0.2M Ammonium Citrate Tribasic, anhydrous, 20%w/v PEG 3350 pH=7) and equilibrated against 1.5 M NaCl solution in 96 Well 3 drop. Before crystallization, the protein-ligand mixture was incubated with 1/15 v/v of 1 mg/ml rTEV solution at 289 K for 3 hours
解像度: 1.7→50 Å / Cor.coef. Fo:Fc: 0.979 / Cor.coef. Fo:Fc free: 0.976 / WRfactor Rfree: 0.1486 / WRfactor Rwork: 0.1335 / FOM work R set: 0.9025 / SU B: 2.342 / SU ML: 0.04 / SU R Cruickshank DPI: 0.0596 / SU Rfree: 0.0591 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.06 / ESU R Free: 0.059 / 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
0.1497
2954
4.9 %
RANDOM
Rwork
0.1344
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obs
0.1351
56748
99.93 %
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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