- PDB-4fxt: Crystal structure of a DUF3823 family protein (BACOVA_02663) from... -
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基本情報
登録情報
データベース: PDB / ID: 4fxt
タイトル
Crystal structure of a DUF3823 family protein (BACOVA_02663) from Bacteroides ovatus ATCC 8483 at 2.77 A resolution
要素
Uncharacterized protein
キーワード
STRUCTURAL GENOMICS / UNKNOWN FUNCTION / PF12866 FAMILY / DUF3823 / JOINT CENTER FOR STRUCTURAL GENOMICS / JCSG / PROTEIN STRUCTURE INITIATIVE / PSI-BIOLOGY
機能・相同性
機能・相同性情報
Immunoglobulin-like - #2060 / DUF3823, N-terminal / Domain of unknown function DUF3823_C / Protein of unknown function (DUF3823) N-terminal domain / Domain of unknown function (DUF3823_C) / Carboxypeptidase-like, regulatory domain / Immunoglobulin-like / Sandwich / Mainly Beta 類似検索 - ドメイン・相同性
A: Uncharacterized protein B: Uncharacterized protein C: Uncharacterized protein D: Uncharacterized protein E: Uncharacterized protein F: Uncharacterized protein G: Uncharacterized protein H: Uncharacterized protein I: Uncharacterized protein J: Uncharacterized protein K: Uncharacterized protein L: Uncharacterized protein M: Uncharacterized protein N: Uncharacterized protein ヘテロ分子
THE CONSTRUCT (RESIDUES 24-224) WAS EXPRESSED WITH A PURIFICATION TAG MGSDKIHHHHHHENLYFQG. THE TAG ...THE CONSTRUCT (RESIDUES 24-224) 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: 2.77→49.079 Å / Num. obs: 82740 / % possible obs: 99.8 % / Observed criterion σ(I): -3 / Biso Wilson estimate: 72.896 Å2 / Rmerge(I) obs: 0.106 / Net I/σ(I): 10.91
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
2.77-2.87
0.011
1.7
31848
8246
1
99.7
2.87-2.98
0.011
2.3
30780
7983
1
99.9
2.98-3.12
0.011
3.3
33071
8562
1
99.9
3.12-3.28
0.011
4.6
31083
8049
1
99.8
3.28-3.49
0.011
6.7
32780
8484
1
99.9
3.49-3.75
0.011
9.8
31072
8026
1
99.9
3.75-4.13
0.011
12.9
32263
8351
1
99.9
4.13-4.72
0.011
18.4
31793
8232
1
100
4.72-5.92
0.011
21
32075
8298
1
99.9
5.92-49.079
0.011
27.8
32268
8509
1
99.4
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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
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
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: 2.77→49.079 Å / Cor.coef. Fo:Fc: 0.9148 / Cor.coef. Fo:Fc free: 0.9008 / 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. THE MAD PHASES WERE USED AS RESTRAINTS DURING REFINEMENT. 3. NCS RESTRAINTS WERE APPLIED USING BUSTER'S LSSR RESTRAINT REPRESENTATION (-AUTONCS). 4. 1,2-ETHANEDIOL, USED AS A CRYOPROTECTANT WERE MODELED INTO THE STRUCTURE. 5. ATOM RECORD CONTAINS SUM OF TLS AND RESIDUAL B FACTORS ANISOU RECORD CONTAINS SUM OF TLS AND RESIDUAL U FACTORS.