COBALT (II) ION (CO): 10 MM COBALT CHLORIDE WAS PRESENT IN CRYSTALLISATION SOLUTION PYROGLUTAMIC ...COBALT (II) ION (CO): 10 MM COBALT CHLORIDE WAS PRESENT IN CRYSTALLISATION SOLUTION PYROGLUTAMIC ACID (PCA): MODIFIED N-TERMINAL GLN SIDECHAIN GLYCEROL (GOL): 12.5 PERCENT GLYCEROL WAS PRESENT IN CRYOPROTECTANT SOLUTION BETA-D-GLUCOSE (BGC): SUBUNIT OF P-NITROPHENYL CELLOBIOSIDE LIGAND P-NITROPHENOL (NPO): SUBUNIT OF P-NITROPHENYL CELLOBIOSIDE LIGAND N-ACETYL-D-GLUCOSAMINE (NAG): SUBUNIT OF P-NITROPHENYL CELLOBIOSIDE LIGAND
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実験情報
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実験
実験
手法: X線回折 / 使用した結晶の数: 1
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試料調製
結晶
マシュー密度: 2 Å3/Da / 溶媒含有率: 38.6 % / 解説: NONE
結晶化
温度: 298 K / 手法: 蒸気拡散法, ハンギングドロップ法 / pH: 6 詳細: 0.1 M NA-MES (PH 6.0), 21% MONOMETHYL ETHER PEG 5000, 0.005 M COCL2, 12% GLYCEROL, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K
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データ収集
回折
平均測定温度: 100 K
放射光源
由来: シンクロトロン / サイト: MAX II / ビームライン: I911-2 / 波長: 1.041
検出器
タイプ: MARRESEARCH / 検出器: CCD / 日付: 2006年11月30日
放射
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: 1.041 Å / 相対比: 1
反射
解像度: 1.15→29.2 Å / Num. obs: 130094 / % possible obs: 98.1 % / Observed criterion σ(I): 2 / 冗長度: 7.2 % / Rmerge(I) obs: 0.09 / Net I/σ(I): 15
反射 シェル
解像度: 1.15→1.25 Å / 冗長度: 6.5 % / Rmerge(I) obs: 0.53 / Mean I/σ(I) obs: 3.2 / % possible all: 87.2
解像度: 1.2→29.19 Å / Cor.coef. Fo:Fc: 0.972 / Cor.coef. Fo:Fc free: 0.969 / SU B: 0.553 / SU ML: 0.024 / 交差検証法: THROUGHOUT / ESU R: 0.038 / ESU R Free: 0.038 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. TWO P-NITROPHENYL CELLOBIOSIDE LIGAND MOLECULES WERE FOUND IN THE ASSYMETRIC UNIT, ONE NON-PRODUCTIVELY BOUND AT THE ACTIVE SITE AND THE ...詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. TWO P-NITROPHENYL CELLOBIOSIDE LIGAND MOLECULES WERE FOUND IN THE ASSYMETRIC UNIT, ONE NON-PRODUCTIVELY BOUND AT THE ACTIVE SITE AND THE OTHER AT AN INTERFACE BETWEEN SEVERAL PROTEIN MOLECULES
Rfactor
反射数
%反射
Selection details
Rfree
0.159
5905
5 %
RANDOM
Rwork
0.145
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obs
0.146
111569
99.97 %
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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