- PDB-1vke: Crystal structure of carboxymuconolactone decarboxylase family pr... -
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基本情報
登録情報
データベース: PDB / ID: 1vke
タイトル
Crystal structure of carboxymuconolactone decarboxylase family protein possibly involved in antioxidative response (TM1620) from Thermotoga maritima at 1.56 A resolution
要素
carboxymuconolactone decarboxylase family protein
キーワード
LYASE / TM1620 / CARBOXYMUCONOLACTONE DECARBOXYLASE FAMILY PROTEIN POSSIBLY INVOLVED IN ANTIOXIDATIVE RESPONSE / STRUCTURAL GENOMICS / JCSG / PROTEIN STRUCTURE INITIATIVE / PSI / Joint Center for Structural Genomics
A: carboxymuconolactone decarboxylase family protein B: carboxymuconolactone decarboxylase family protein C: carboxymuconolactone decarboxylase family protein D: carboxymuconolactone decarboxylase family protein E: carboxymuconolactone decarboxylase family protein F: carboxymuconolactone decarboxylase family protein ヘテロ分子
解像度: 1.56→44.65 Å / Cor.coef. Fo:Fc: 0.971 / Cor.coef. Fo:Fc free: 0.966 / SU B: 2.8 / SU ML: 0.047 / TLS residual ADP flag: LIKELY RESIDUAL / 交差検証法: THROUGHOUT / ESU R: 0.068 / ESU R Free: 0.068 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: 1. HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS 2. CHAIN A 4-17 HAS VERY POOR DENSITY, OCCUPANCY SET TO 0.5 3. THERE ARE UNEXPLAINED DENSITIES NEAR PUTATIVE ACTIVE SITES (AROUND 59-62 ...詳細: 1. HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS 2. CHAIN A 4-17 HAS VERY POOR DENSITY, OCCUPANCY SET TO 0.5 3. THERE ARE UNEXPLAINED DENSITIES NEAR PUTATIVE ACTIVE SITES (AROUND 59-62 DISULFIDE BOND), SOME RESEMBLE MPD. HOWEVER, NOT ALL OF THEM LOOKED SIMILAR. AS A RESULT, ONLY ONE WAS MODELLED AS MPD, THE REST OF THEM ARE MODELLED AS UNL, "UNKNOWN LIGAND" 4. UNL 2-7 O1 ATOM IS HEAVIER THAN OXYGEN, IT FITS THE DENSITY BETTER TO MODEL EACH AS A SULFATE AND A CLOSE ASSOCIATED WATER
Rfactor
反射数
%反射
Selection details
Rfree
0.17834
5361
5 %
RANDOM
Rwork
0.15816
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obs
0.15918
101346
92.21 %
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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: BABINET MODEL WITH MASK