- PDB-4hsp: Crystal structure of a DUF3299 family protein (PA4066) from Pseud... -
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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: 4hsp
タイトル
Crystal structure of a DUF3299 family protein (PA4066) from Pseudomonas aeruginosa PAO1 at 2.45 A resolution
要素
hypothetical protein
キーワード
STRUCTURAL GENOMICS / UNKNOWN FUNCTION / PF11736 family protein / DUF3299 / Joint Center for Structural Genomics / JCSG / Protein Structure Initiative / PSI-BIOLOGY / STRUCTURAL GENOMICS UNKNOWN FUNCTION
機能・相同性
Protein of unknown function (DUF3299) / Protein of unknown function DUF3299 / Protein of unknown function (DUF3299) / OB fold (Dihydrolipoamide Acetyltransferase, E2P) / Beta Barrel / Mainly Beta / DUF3299 domain-containing protein
THIS CONSTRUCT WAS EXPRESSED WITH A PURIFICATION TAG MGSDKIHHHHHHENLYFQG. THE TAG WAS REMOVED WITH ...THIS CONSTRUCT WAS EXPRESSED WITH A PURIFICATION TAG MGSDKIHHHHHHENLYFQG. THE TAG WAS REMOVED WITH TEV PROTEASE LEAVING ONLY A GLYCINE (0) FOLLOWED BY RESIDUES 24-172 OF THE TARGET SEQUENCE.
解像度: 2.45→29.234 Å / Num. obs: 9810 / % possible obs: 99.4 % / Observed criterion σ(I): -3 / Biso Wilson estimate: 69.284 Å2 / Rmerge(I) obs: 0.086 / Net I/σ(I): 17.37
反射 シェル
Rmerge(I) obs: 0.014 / Diffraction-ID: 1
解像度 (Å)
最高解像度 (Å)
Mean I/σ(I) obs
Num. measured obs
Num. unique obs
% possible all
2.45-2.54
1.6
11402
1784
96.3
2.54-2.64
1.9
13330
1727
99
2.64-2.76
3.8
13827
1776
99.8
2.76-2.9
5.4
13421
1727
99.9
2.9-3.08
9.2
13763
1768
100
3.08-3.32
14.8
14086
1811
100
3.32-3.65
21.4
13806
1774
100
3.65-4.18
31.8
14093
1818
100
4.18-5.25
39
13664
1779
100
5.25
43.1
13932
1826
99.2
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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: 2.45→29.234 Å / Cor.coef. Fo:Fc: 0.9609 / Cor.coef. Fo:Fc free: 0.9378 / Occupancy max: 1 / Occupancy min: 0.37 / 交差検証法: THROUGHOUT / σ(F): 0 詳細: 1. ATOM RECORD CONTAINS SUM OF TLS AND RESIDUAL B FACTORS. 2. ANISOU RECORD CONTAINS SUM OF TLS AND RESIDUAL U FACTORS. 3. A MET-INHIBITION PROTOCOL WAS USED FOR SELENOMETHIONINE ...詳細: 1. ATOM RECORD CONTAINS SUM OF TLS AND RESIDUAL B FACTORS. 2. ANISOU RECORD CONTAINS SUM OF TLS AND RESIDUAL U FACTORS. 3. 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 4. EXPERIMENTAL (MAD) PHASE RESTRAINTS WERE USED DURING REFINEMENT. 5. SULFATE (SO4) AND 1,2-ETHANEDIOL (EDO) MOLECULES FROM THE CRYSTALLIZATION AND CRYOPROTECTANT SOLUTION ARE MODELED.