- PDB-4yod: Crystal structure of a thioredoxin-like protein (BACCAC_02376) fr... -
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基本情報
登録情報
データベース: PDB / ID: 4yod
タイトル
Crystal structure of a thioredoxin-like protein (BACCAC_02376) from Bacteroides caccae ATCC 43185 at 1.90 A resolution
要素
thioredoxin-like protein
キーワード
OXIDOREDUCTASE / Thioredoxin fold / Structural Genomics / Joint Center for Structural Genomics / JCSG / Protein Structure Initiative / PSI-BIOLOGY
機能・相同性
Domain of unknown function DUF5106 / Domain of unknown function (DUF5106) / Thioredoxin-like / Thioredoxin-like fold / Thioredoxin-like superfamily / Uncharacterized protein
THE CONSTRUCT (27-312) WAS EXPRESSED WITH A PURIFICATION TAG MGSDKIHHHHHHENLYFQG. THE TAG WAS ...THE CONSTRUCT (27-312) 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: 1.9→28.343 Å / Num. obs: 22102 / % possible obs: 91.7 % / Observed criterion σ(I): -3 / 冗長度: 1.77 % / Biso Wilson estimate: 34.007 Å2 / Rmerge F obs: 0.998 / Rmerge(I) obs: 0.04 / Rrim(I) all: 0.056 / Net I/σ(I): 10.6 / Num. measured all: 72712
反射 シェル
解像度 (Å)
最高解像度 (Å)
Rmerge F obs
Rmerge(I) obs
Mean I/σ(I) obs
Num. measured obs
Num. possible
Num. unique obs
Rrim(I) all
Diffraction-ID
% possible all
1.91-1.98
0.783
0.505
2
6856
4556
4056
0.702
1
89
1.98-2.06
0.825
0.336
3
7764
4508
4244
0.467
94.1
2.06-2.15
0.891
0.238
4.5
7435
4315
4091
0.331
94.8
2.15-2.26
0.934
0.177
5.8
7230
4324
4062
0.245
93.9
2.26-2.41
0.961
0.132
7.4
7552
4825
4416
0.182
91.5
2.41-2.59
0.981
0.091
9.3
7453
4288
4053
0.126
94.5
2.59-2.85
0.991
0.062
12.2
7532
4492
4218
0.086
93.9
2.85-3.26
0.995
0.041
16.4
6841
4472
3991
0.057
89.2
3.26-4.1
0.996
0.03
21.9
7026
4472
3942
0.041
88.1
4.1
0.998
0.023
24.8
7023
4550
4029
0.032
88.5
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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
PDB_EXTRACT
3.1
データ抽出
SHELX
位相決定
SHARP
位相決定
XSCALE
November3, 2014BUILT=20141118
データスケーリング
XDS
データスケーリング
BUSTER
2.10.2
精密化
SHELXD
位相決定
精密化
構造決定の手法: 多波長異常分散 / 解像度: 1.9→28.343 Å / Cor.coef. Fo:Fc: 0.9583 / Cor.coef. Fo:Fc free: 0.9395 / 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. CONDITIONS. 3. ATOM RECORDS CONTAIN SUM OF TLS AND RESIDUAL B FACTORS. ANISOU RECORDS CONTAIN SUM OF TLS AND RESIDUAL U FACTORS.