- PDB-2wmi: Crystal structure of the catalytic module of a family 98 glycosid... -
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基本情報
登録情報
データベース: PDB / ID: 2wmi
タイトル
Crystal structure of the catalytic module of a family 98 glycoside hydrolase from Streptococcus pneumoniae SP3-BS71 in complex with the A-trisaccharide blood group antigen.
SHEET DETERMINATION METHOD: DSSP THE SHEETS PRESENTED AS "AA" IN EACH CHAIN ON SHEET RECORDS BELOW ... SHEET DETERMINATION METHOD: DSSP THE SHEETS PRESENTED AS "AA" IN EACH CHAIN ON SHEET RECORDS BELOW IS ACTUALLY AN 9-STRANDED BARREL THIS IS REPRESENTED BY A 10-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS ARE IDENTICAL. THE SHEETS PRESENTED AS "BA" IN EACH CHAIN ON SHEET RECORDS BELOW IS ACTUALLY AN 8-STRANDED BARREL THIS IS REPRESENTED BY A 9-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS ARE IDENTICAL.
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: 0.9761 Å / 相対比: 1
反射
解像度: 1.9→40 Å / Num. obs: 99648 / % possible obs: 97 % / Observed criterion σ(I): 2 / 冗長度: 3.6 % / Rmerge(I) obs: 0.09 / Net I/σ(I): 13
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解析
ソフトウェア
名称: REFMAC / バージョン: 5.2.0019 / 分類: 精密化
精密化
構造決定の手法: OTHER 開始モデル: NONE 解像度: 1.9→38.46 Å / Cor.coef. Fo:Fc: 0.956 / Cor.coef. Fo:Fc free: 0.935 / SU B: 2.832 / SU ML: 0.084 / 交差検証法: THROUGHOUT / ESU R: 0.137 / ESU R Free: 0.131 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD / 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
Rfactor
反射数
%反射
Selection details
Rfree
0.20639
5245
5 %
RANDOM
Rwork
0.16491
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obs
0.16702
99648
96.66 %
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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: 1.4 Å / 溶媒モデル: MASK