- PDB-4dn6: Crystal structure of a putative pilus assembly protein (cpaE) fro... -
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IDまたはキーワード:
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基本情報
登録情報
データベース: PDB / ID: 4dn6
タイトル
Crystal structure of a putative pilus assembly protein (cpaE) from Burkholderia thailandensis E264 at 2.80 A resolution
要素
Putative pilus assembly protein CpaE
キーワード
SIGNALING PROTEIN / Response regulator receiver domain / CHEY-related protein / signal transduction / 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
phosphorelay signal transduction system 類似検索 - 分子機能
THE CONSTRUCT WAS EXPRESSED WITH AN N-TERMINAL PURIFICATION TAG MGSDKIHHHHHHENLYFQG FOLLOWED BY ...THE CONSTRUCT WAS EXPRESSED WITH AN N-TERMINAL PURIFICATION TAG MGSDKIHHHHHHENLYFQG FOLLOWED BY RESIDUES 1-127 OF THE FULL LENGTH PROTEIN.
解像度: 2.8→29.57 Å / Num. obs: 8094 / % possible obs: 98.6 % / Observed criterion σ(I): -3 / 冗長度: 6.89 % / Biso Wilson estimate: 93.904 Å2 / Rmerge(I) obs: 0.057 / Net I/σ(I): 15.71
反射 シェル
解像度 (Å)
Rmerge(I) obs
Mean I/σ(I) obs
Num. measured obs
Num. unique obs
Diffraction-ID
% possible all
2.8-2.9
0.795
1.58
5759
1484
1
98.5
2.9-3.02
0.474
2.7
5841
1495
1
99.4
3.02-3.15
0.32
4
5206
1390
1
99.6
3.15-3.32
0.225
6.1
5329
1491
1
99.3
3.32-3.52
0.109
10.6
5827
1437
1
99.6
3.52-3.79
0.098
14.3
5273
1395
1
94.3
3.79-4.17
0.056
20.4
5843
1489
1
99.5
4.17-4.77
0.042
27.6
5124
1429
1
98.3
4.77-5.98
0.038
30.5
5796
1479
1
99.8
5.98-29.57
0.025
38.5
5740
1506
1
98
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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
December6, 2010
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: 2.8→29.57 Å / Cor.coef. Fo:Fc: 0.9418 / Cor.coef. Fo:Fc free: 0.9314 / Occupancy max: 1 / Occupancy min: 0.5 / 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. WATERS WERE EXCLUDED FROM AUTOMATIC TLS ASSIGNMENT. 4. NCS RESTRAINTS WERE APPLIED USING BUSTER'S LSSR RESTRAINT REPRESENTATION (-AUTONCS). 5. MAD EXPERIMENTAL PHASES IN THE FORM OF HENDRICKSON-LATTMAN COEFFICIENTS WERE USED AS RESTRAINTS DURING REFINEMENT.