- PDB-4xvv: Crystal structure of an Acid stress chaperone HdeB (KPN_03484) fr... -
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基本情報
登録情報
データベース: PDB / ID: 4xvv
タイトル
Crystal structure of an Acid stress chaperone HdeB (KPN_03484) from Klebsiella pneumoniae subsp. pneumoniae MGH 78578 at 1.70 A resolution
要素
Acid stress chaperone HdeB
キーワード
CHAPERONE / HdeA family protein (PF06411) / protein HNS-dependent expression A fold / Structural Genomics / Joint Center for Structural Genomics / JCSG / Protein Structure Initiative / PSI-BIOLOGY
機能・相同性
機能・相同性情報
cellular stress response to acidic pH / unfolded protein binding / periplasmic space 類似検索 - 分子機能
HNS-dependent expression B / HNS-dependent expression A / HNS-dependent expression A/B / HNS-dependent expression A/B superfamily / HdeA/HdeB family / 10k-s Protein, Hypothetical Protein A; Chain A / Orthogonal Bundle / Mainly Alpha 類似検索 - ドメイン・相同性
THIS CONSTRUCT WAS EXPRESSED WITH AN N-TERMINAL PURIFICATION TAG MGSDKIHHHHHHENLYFQG. THE TAG WAS ...THIS CONSTRUCT WAS EXPRESSED WITH AN N-TERMINAL PURIFICATION TAG MGSDKIHHHHHHENLYFQG. THE TAG WAS REMOVED WITH TEV PROTEASE LEAVING ONLY A GLYCINE (0) FOLLOWED BY RESIDUES 26-101 OF THE TARGET SEQUENCE.
モノクロメーター: Double Crystal Si(111) / 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: 0.979559 Å / 相対比: 1
反射
解像度: 1.7→29.286 Å / Num. obs: 15930 / % possible obs: 95.4 % / Observed criterion σ(I): -3 / 冗長度: 3.62 % / Biso Wilson estimate: 29.463 Å2 / Rmerge F obs: 0.998 / Rmerge(I) obs: 0.052 / Rrim(I) all: 0.069 / Net I/σ(I): 9.32 / Num. measured all: 61343
反射 シェル
解像度 (Å)
最高解像度 (Å)
Rmerge F obs
Rmerge(I) obs
Mean I/σ(I) obs
Num. measured obs
Num. possible
Num. unique obs
Rrim(I) all
Diffraction-ID
% possible all
1.7-1.76
0.573
0.708
1.6
5554
2964
2797
0.948
1
94.4
1.76-1.83
0.728
0.481
2.4
6288
3027
2929
0.642
96.8
1.83-1.91
0.793
0.388
3.1
6062
2914
2832
0.516
97.2
1.91-2.02
0.872
0.261
5
6853
3273
3190
0.345
97.5
2.02-2.14
0.942
0.174
7
5980
2858
2780
0.228
97.3
2.14-2.31
0.967
0.119
9.2
6330
3060
2943
0.158
96.2
2.31-2.54
0.985
0.085
11.2
6118
2978
2846
0.113
95.6
2.54-2.9
0.991
0.059
13.9
6080
2962
2806
0.079
94.7
2.9-3.66
0.996
0.039
18.5
6052
3061
2819
0.052
92.1
3.66
0.997
0.029
22.1
6026
3032
2814
0.039
92.8
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位相決定
位相決定
手法: 単波長異常分散
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解析
ソフトウェア
名称
バージョン
分類
PDB_EXTRACT
3.1
データ抽出
SOLVE
位相決定
XSCALE
January10, 2014BUILT=20140307
データスケーリング
REFMAC
5.7.0032
精密化
精密化
構造決定の手法: 単波長異常分散 / 解像度: 1.7→29.286 Å / Cor.coef. Fo:Fc: 0.961 / Cor.coef. Fo:Fc free: 0.95 / Occupancy max: 1 / Occupancy min: 0.37 / SU B: 4.934 / SU ML: 0.081 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.124 / ESU R Free: 0.116 立体化学のターゲット値: MAXIMUM LIKELIHOOD WITH PHASES 詳細: 1. HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. 2. ATOM RECORDS CONTAIN SUM OF TLS AND RESIDUAL B FACTORS. 3. ANISOU RECORDS CONTAIN SUM OF TLS AND RESIDUAL U FACTORS. 4. WATERS WERE ...詳細: 1. HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. 2. ATOM RECORDS CONTAIN SUM OF TLS AND RESIDUAL B FACTORS. 3. ANISOU RECORDS CONTAIN SUM OF TLS AND RESIDUAL U FACTORS. 4. WATERS WERE EXCLUDED FROM AUTOMATIC TLS ASSIGNMENT. 5. 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.
Rfactor
反射数
%反射
Selection details
Rfree
0.2261
808
5.1 %
RANDOM
Rwork
0.1966
15080
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obs
0.198
15888
97.77 %
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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: BABINET MODEL WITH MASK