- PDB-4q68: Crystal structure of a N-acetylmuramoyl-L-alanine amidase (BACUNI... -
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IDまたはキーワード:
読み込み中...
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基本情報
登録情報
データベース: PDB / ID: 4q68
タイトル
Crystal structure of a N-acetylmuramoyl-L-alanine amidase (BACUNI_02947) from Bacteroides uniformis ATCC 8492 at 1.07 A resolution
要素
Uncharacterized protein
キーワード
STRUCTURAL GENOMICS / UNKNOWN FUNCTION / PF07313 family protein / DUF 1460 / Joint Center for Structural Genomics / JCSG / Protein Structure Initiative / PSI-BIOLOGY
THE CONSTRUCT (24-262) WAS EXPRESSED WITH A PURIFICATION TAG MGSDKIHHHHHHENLYFQG. THE TAG WAS ...THE CONSTRUCT (24-262) WAS EXPRESSED WITH A PURIFICATION TAG MGSDKIHHHHHHENLYFQG. THE TAG WAS REMOVED WITH TEV PROTEASE LEAVING ONLY A GLYCINE (0) FOLLOWED BY THE TARGET SEQUENCE.
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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: 2.03 Å3/Da / 溶媒含有率: 39.44 %
結晶化
温度: 277 K / 手法: 蒸気拡散法, シッティングドロップ法 詳細: 30.00% polyethylene glycol 1500, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K
解像度: 1.07→39.355 Å / Cor.coef. Fo:Fc: 0.984 / Cor.coef. Fo:Fc free: 0.976 / Occupancy max: 1 / Occupancy min: 0.07 / SU B: 0.72 / SU ML: 0.016 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.025 / ESU R Free: 0.026 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: 1. A MET-INHIBITION PROTOCOL WAS USED FOR SELENOMETHIONINE INCORPORATION DURING PROTEIN EXPRESSION. THE OCCUPANCY OF THE SE ATOMS IN THE MSE RESIDUES WAS REDUCED TO 0.75 FOR THE REDUCED ...詳細: 1. A MET-INHIBITION PROTOCOL WAS USED FOR SELENOMETHIONINE INCORPORATION DURING PROTEIN EXPRESSION. THE OCCUPANCY OF THE SE ATOMS IN THE MSE RESIDUES WAS REDUCED TO 0.75 FOR THE REDUCED SCATTERING POWER DUE TO PARTIAL S-MET INCORPORATION. 2. HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. 3. N-ACETYL-GLUCOSAMINE (NAG) MODELED WAS PRESENT IN CRYSTALLIZATION CONDITION. 4. SODIUM IONS WERE PRESENT IN PROTEIN BUFFER AND WERE ASSIGNED TENTATIVELY BASED ON DENSITY AND COORDINATION. 5. CRYTALS WERE OBTAINED BY COCROSTALLIZATION IN PRESENCE OF 1.2 MILLIMOLAR GLCNAC.
Rfactor
反射数
%反射
Selection details
Rfree
0.1377
4687
5 %
RANDOM
Rwork
0.1103
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obs
0.1117
93156
95.88 %
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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