- PDB-4jqr: Crystal structure of a DUF4465 family protein (BACCAC_02373) from... -
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基本情報
登録情報
データベース: PDB / ID: 4jqr
タイトル
Crystal structure of a DUF4465 family protein (BACCAC_02373) from Bacteroides caccae ATCC 43185 at 2.05 A resolution
要素
hypothetical protein
キーワード
Structural Genomics / Unknown Function / PF14717 family protein / DUF4465 / Joint Center for Structural Genomics / JCSG / Protein Structure Initiative / PSI-BIOLOGY
機能・相同性
Protein of unknown function DUF4465 / Protein of unknown function DUF4465 / Domain of unknown function (DUF4465) / Jelly Rolls / Sandwich / Mainly Beta / Uncharacterized protein
THE CONSTRUCT (20-247) WAS EXPRESSED WITH A PURIFICATION TAG MGSDKIHHHHHHENLYFQG. THE TAG WAS ...THE CONSTRUCT (20-247) 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: 2.05→29.249 Å / Num. all: 24729 / Num. obs: 24729 / % possible obs: 100 % / 冗長度: 7.2 % / Rsym value: 0.131 / Net I/σ(I): 10.7
反射 シェル
Rmerge(I) obs: 0.013 / Diffraction-ID: 1
解像度 (Å)
冗長度 (%)
Mean I/σ(I) obs
Num. measured all
Num. unique all
Rsym value
% possible all
2.05-2.1
7.3
1.8
13114
1803
1.328
100
2.1-2.16
7.3
2.4
12773
1746
0.98
100
2.16-2.22
7.3
2.7
12585
1718
0.851
100
2.22-2.29
7.3
3.2
12198
1675
0.728
100
2.29-2.37
7.3
4
11864
1624
0.568
100
2.37-2.45
7.3
4.4
11338
1555
0.501
100
2.45-2.54
7.3
5.2
10864
1495
0.408
100
2.54-2.65
7.2
6
10652
1470
0.343
100
2.65-2.76
7.2
7.4
10054
1396
0.26
100
2.76-2.9
7.2
9.4
9739
1347
0.192
100
2.9-3.06
7.2
11.9
9069
1266
0.146
100
3.06-3.24
7.2
14.9
8677
1209
0.113
100
3.24-3.47
7.1
18.9
8162
1152
0.086
100
3.47-3.74
7
22.4
7461
1059
0.069
100
3.74-4.1
6.9
24.8
6822
993
0.058
100
4.1-4.58
6.7
27.5
5989
891
0.054
100
4.58-5.29
6.4
27.9
5146
803
0.059
100
5.29-6.48
7.2
26.5
4828
671
0.068
100
6.48-9.17
7.1
28.8
3865
546
0.045
100
9.17-29.249
6.6
30.8
2036
310
0.034
97.4
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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
SCALA
3.3.20
データスケーリング
BUSTER-TNT
2.10.0
精密化
MOSFLM
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: 2.05→29.249 Å / Cor.coef. Fo:Fc: 0.9511 / Cor.coef. Fo:Fc free: 0.944 / 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. THE MAD PHASES WERE USED AS RESTRAINTS DURING REFINEMENT. 4. NA, CL, SO4 AND EDO ARE PRESENT IN CRYSTALLIZATION/CRYO CONDITIONS.