- PDB-4fo5: Crystal structure of a thioredoxin-like protein (BDI_1100) from P... -
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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: 4fo5
タイトル
Crystal structure of a thioredoxin-like protein (BDI_1100) from Parabacteroides distasonis ATCC 8503 at 2.02 A resolution
要素
thioredoxin-like protein
キーワード
OXIDOREDUCTASE / AhpC/TSA family protein / Structural Genomics / Joint Center for Structural Genomics / JCSG / Protein Structure Initiative / PSI-BIOLOGY
THIS CONSTRUCT (RESIDUES 25-166) WAS EXPRESSED WITH A PURIFICATION TAG MGSDKIHHHHHHENLYFQG. THE TAG ...THIS CONSTRUCT (RESIDUES 25-166) 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: 1.9 Å3/Da / 溶媒含有率: 35.27 %
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 / pH: 8.5 詳細: 0.2M sodium acetate, 30.0% polyethylene glycol 4000, 0.1M tris hydrochloride pH 8.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K
解像度: 2.02→29.869 Å / Num. obs: 8038 / % possible obs: 98.9 % / Observed criterion σ(I): -3 / Biso Wilson estimate: 36.337 Å2 / Rmerge(I) obs: 0.065 / Net I/σ(I): 15.58
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
2.02-2.09
0.439
2.4
2596
1516
97.4
2.09-2.18
0.314
3.1
2792
1620
98.5
2.18-2.27
0.42
4.2
2762
1393
97.8
2.27-2.39
0.477
5.5
5092
1580
98.9
2.39-2.54
0.43
6.9
6212
1564
99.4
2.54-2.74
0.294
9.9
8380
1607
99.3
2.74-3.02
0.154
15.9
9117
1572
99.4
3.02-3.45
0.077
25.7
8919
1539
100
3.45-4.34
0.043
36.3
8983
1551
99.2
4.34
0.03
44.9
9074
1583
99.1
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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
SOLVE
位相決定
XSCALE
December29, 2011
データスケーリング
BUSTER-TNT
2.10.0
精密化
XDS
データ削減
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: 2.02→29.869 Å / Cor.coef. Fo:Fc: 0.9599 / Cor.coef. Fo:Fc free: 0.9504 / Occupancy max: 1 / Occupancy min: 0.4 / 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. ANISOU RECORD CONTAINS SUM OF TLS AND RESIDUAL U FACTORS. 3.CHLORIDE (CL) MODELED IN THE SOLVENT STRUCTURE IS PRESENT IN THE CRYSTALLIZATION CONDITION. 4.EXPERIMENTAL PHASES FROM MAD PHASING WERE USED AS RESTRAINTS DURING CRYSTALLOGRAPHIC REFINEMENT.