- PDB-4yjw: Crystal structure of a DUF3829 family protein (BVU_3067) from Bac... -
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基本情報
登録情報
データベース: PDB / ID: 4yjw
タイトル
Crystal structure of a DUF3829 family protein (BVU_3067) from Bacteroides vulgatus ATCC 8482 at 1.80 A resolution
要素
DUF3829 family protein
キーワード
STRUCTURAL GENOMICS UNKNOWN FUNCTION / All alpha protein / PF12889 family / Structural Genomics / Joint Center for Structural Genomics / JCSG / Protein Structure Initiative / PSI-BIOLOGY / UNKNOWN FUNCTION
機能・相同性
Uncharacterised protein PF12889, N-terminal DUF3829 / : / Domain of unknown function (DUF6845) / Four Helix Bundle (Hemerythrin (Met), subunit A) / Prokaryotic membrane lipoprotein lipid attachment site profile. / Up-down Bundle / Mainly Alpha / DUF3829 domain-containing protein
モノクロメーター: double crystal Si(111) / プロトコル: SINGLE WAVELENGTH / 単色(M)・ラウエ(L): M / 散乱光タイプ: x-ray
放射波長
波長: 0.9792 Å / 相対比: 1
反射
解像度: 1.8→28.652 Å / Num. obs: 16483 / % possible obs: 100 % / Observed criterion σ(I): -3 / 冗長度: 6.17 % / Biso Wilson estimate: 21.665 Å2 / Rmerge F obs: 0.999 / Rmerge(I) obs: 0.08 / Rrim(I) all: 0.088 / Net I/σ(I): 16.13 / Num. measured all: 187648
反射 シェル
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
1.8-1.86
0.651
0.739
1.9
12263
2859
2858
0.843
1
100
1.86-1.94
0.817
0.605
2.9
19008
3223
3223
0.664
100
1.94-2.03
0.909
0.427
4.4
19963
3117
3117
0.465
100
2.03-2.13
0.961
0.268
6.9
18244
2843
2843
0.291
100
2.13-2.27
0.983
0.182
10
20532
3194
3194
0.199
100
2.27-2.44
0.991
0.139
12.8
19050
2952
2952
0.151
100
2.44-2.69
0.994
0.105
16.7
19929
3085
3085
0.114
100
2.69-3.07
0.997
0.074
22.6
19338
2992
2992
0.08
100
3.07-3.87
0.999
0.043
35.6
19617
3057
3057
0.047
100
3.87-28.652
0.999
0.031
47
19704
3084
3073
0.034
99.6
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位相決定
位相決定
手法: 単波長異常分散
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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
XDS
November3, 2014BUILT=20141118
データスケーリング
BUSTER-TNT
2.10.2
精密化
XSCALE
データスケーリング
SHELXD
位相決定
BUSTER
2.10.2
精密化
精密化
構造決定の手法: 単波長異常分散 / 解像度: 1.8→28.652 Å / Cor.coef. Fo:Fc: 0.9532 / Cor.coef. Fo:Fc free: 0.9459 / Occupancy max: 1 / Occupancy min: 0.3 / 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 SAD PHASES WERE USED AS RESTRAINTS DURING REFINEMENT. 3. A UNMODELED DENSITY BLOB AT THE TWO-FOLD AXIS (NEAR A62) COULD BE EXPLAINED BY A BENZOIC ACID-LIKE COMPOUND.