- PDB-2qde: Crystal structure of mandelate racemase/muconate lactonizing fami... -
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基本情報
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データベース: PDB / ID: 2qde
タイトル
Crystal structure of mandelate racemase/muconate lactonizing family protein from Azoarcus sp. EbN1
要素
Mandelate racemase/muconate lactonizing enzyme family protein
キーワード
LYASE / psi-II / NYSGXRC / 9379a / enolase / Structural Genomics / Protein Structure Initiative / PSI-2 / New York SGX Research Center for Structural Genomics
A: Mandelate racemase/muconate lactonizing enzyme family protein B: Mandelate racemase/muconate lactonizing enzyme family protein C: Mandelate racemase/muconate lactonizing enzyme family protein D: Mandelate racemase/muconate lactonizing enzyme family protein E: Mandelate racemase/muconate lactonizing enzyme family protein F: Mandelate racemase/muconate lactonizing enzyme family protein G: Mandelate racemase/muconate lactonizing enzyme family protein H: Mandelate racemase/muconate lactonizing enzyme family protein ヘテロ分子
モノクロメーター: si-III / 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: 0.9792 Å / 相対比: 1
反射
解像度: 1.93→50 Å / Num. all: 285427 / Num. obs: 285427 / % possible obs: 99.1 % / Observed criterion σ(F): 0 / 冗長度: 7 % / Biso Wilson estimate: 14.9 Å2 / Rmerge(I) obs: 0.06 / Net I/σ(I): 8.1
反射 シェル
解像度: 1.93→2 Å / 冗長度: 4.6 % / Rmerge(I) obs: 0.4 / Mean I/σ(I) obs: 1 / % possible all: 93.6
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解析
ソフトウェア
名称
バージョン
分類
CNS
1.1
精密化
CBASS
データ収集
HKL-2000
データ削減
HKL-2000
データスケーリング
SHELXD
位相決定
SHARP
位相決定
精密化
構造決定の手法: 単波長異常分散 / 解像度: 1.93→46.14 Å / Rfactor Rfree error: 0.002 / Data cutoff high absF: 59452.88 / Data cutoff low absF: 0 / Isotropic thermal model: RESTRAINED / 交差検証法: THROUGHOUT / 立体化学のターゲット値: Engh & Huber 詳細: 1. The metal ion was modeled as barium since (a) the residual density was high and (b) the crystallization condition contained a barium salt. 2. Residues listed as missing in Remark 465 are ...詳細: 1. The metal ion was modeled as barium since (a) the residual density was high and (b) the crystallization condition contained a barium salt. 2. Residues listed as missing in Remark 465 are due to lack of electron density. 3. Residues with missing atoms listed in Remark 470 are due to lack of electron density for side chains and modeled as alanines.