- PDB-4jqt: Crystal structure of a putative glycosyl hydrolase (BT3469) from ... -
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基本情報
登録情報
データベース: PDB / ID: 4jqt
タイトル
Crystal structure of a putative glycosyl hydrolase (BT3469) from Bacteroides thetaiotaomicron VPI-5482 at 2.49 A resolution
要素
putative glycosyl hydrolase
キーワード
Structural Genomics / Unknown Function / PF06439 family protein / DUF1080 / Joint Center for Structural Genomics / JCSG / Protein Structure Initiative / PSI-BIOLOGY
THIS CONSTRUCT (RESIDUES 20-449) WAS EXPRESSED WITH A PURIFICATION TAG MGSDKIHHHHHHENLYFQG. THE TAG ...THIS CONSTRUCT (RESIDUES 20-449) WAS EXPRESSED WITH A PURIFICATION TAG MGSDKIHHHHHHENLYFQG. THE TAG WAS REMOVED WITH TEV PROTEASE LEAVING ONLY A GLYCINE (0) FOLLOWED BY THE TARGET SEQUENCE.
解像度: 2.49→29.216 Å / Num. obs: 37924 / % possible obs: 97.5 % / Observed criterion σ(I): -3 / Biso Wilson estimate: 47.814 Å2 / Rmerge(I) obs: 0.113 / Net I/σ(I): 9.7
反射 シェル
Diffraction-ID: 1
解像度 (Å)
最高解像度 (Å)
Rmerge(I) obs
Mean I/σ(I) obs
Num. measured obs
Num. unique obs
% possible all
2.49-2.58
0.567
1.9
13828
7022
96.7
2.58-2.68
0.502
2.5
13457
6818
96.9
2.68-2.8
0.465
3.1
13730
6949
97.7
2.8-2.95
0.349
4.1
14204
7207
97.9
2.95-3.14
0.23
6
14335
7271
97.9
3.14-3.38
0.145
8.9
13762
6982
98.2
3.38-3.71
0.085
13
13546
6887
97.8
3.71-4.25
0.06
16.1
14017
7151
97.6
4.25-5.33
0.044
19.2
13516
6972
97.7
5.33
0.037
21.9
14208
7135
96.7
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位相決定
位相決定
手法: 多波長異常分散
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解析
ソフトウェア
名称
バージョン
分類
NB
MolProbity
3beta29
モデル構築
PDB_EXTRACT
3.1
データ抽出
SHELX
位相決定
SHARP
位相決定
XSCALE
March15, 2012
データスケーリング
BUSTER-TNT
2.10.0
精密化
XDS
データ削減
SHELXD
位相決定
BUSTER
2.10.0
精密化
精密化
構造決定の手法: 多波長異常分散 / 解像度: 2.49→29.216 Å / Cor.coef. Fo:Fc: 0.9439 / Cor.coef. Fo:Fc free: 0.9209 / Occupancy max: 1 / Occupancy min: 0.37 / 交差検証法: THROUGHOUT / σ(F): 0 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.ATOM RECORD CONTAINS SUM OF TLS AND RESIDUAL B FACTORS. 3.ANISOU RECORD CONTAINS SUM OF TLS AND RESIDUAL U FACTORS. 4.NCS RESTRAINTS WERE IMPOSED BY AUTOBUSTER'S LSSR PROCEDURE (-AUTONCS). 5.SOIDUM (NA) FROM THE CRYSTALLIZATION AND 1,2-ETHANEDIOL (EDO) FROM THE CRYOPROTECTANT SOLUTION ARE MODELED. 6.THE CRYSTALLOGRAPHIC REFINEMENT WAS RESTRAINED AGAINST THE EXPERIMENTAL (MAD) PHASES.