- PDB-4jx2: Crystal structure of a putative secreted protein (lpg1979) from L... -
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IDまたはキーワード:
読み込み中...
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基本情報
登録情報
データベース: PDB / ID: 4jx2
タイトル
Crystal structure of a putative secreted protein (lpg1979) from Legionella pneumophila subsp. pneumophila str. Philadelphia 1 at 2.65 A resolution
要素
hypothetical protein
キーワード
Structural Genomics / Unknown Function / ORFan protein / new combination of alpha helixes and beta sheets / Joint Center for Structural Genomics / JCSG / Protein Structure Initiative / PSI-BIOLOGY
機能・相同性
Single alpha-helices involved in coiled-coils or other helix-helix interfaces - #2710 / Domain of unknown function DUF5624 / Domain of unknown function (DUF5624) / Single alpha-helices involved in coiled-coils or other helix-helix interfaces / Helix non-globular / Special / DI(HYDROXYETHYL)ETHER / TRIETHYLENE GLYCOL / DUF5624 domain-containing protein
THE CONSTRUCT (22-375) WAS EXPRESSED WITH A PURIFICATION TAG MGSDKIHHHHHHENLYFQG. THE TAG WAS ...THE CONSTRUCT (22-375) WAS EXPRESSED WITH A PURIFICATION TAG MGSDKIHHHHHHENLYFQG. THE TAG WAS REMOVED WITH TEV PROTEASE LEAVING ONLY A GLYCINE (0) FOLLOWED BY THE TARGET SEQUENCE.
モノクロメーター: single crystal Si(111) bent / プロトコル: MAD / 単色(M)・ラウエ(L): M / 散乱光タイプ: x-ray
放射波長
ID
波長 (Å)
相対比
1
0.97932
1
2
0.91837
1
3
0.97858
1
反射
解像度: 2.65→47.97 Å / Num. obs: 33147 / % possible obs: 98.1 % / Observed criterion σ(I): -3 / Biso Wilson estimate: 56.91 Å2 / Rmerge(I) obs: 0.087 / Net I/σ(I): 11.63
反射 シェル
Diffraction-ID: 1
解像度 (Å)
最高解像度 (Å)
Rmerge(I) obs
Mean I/σ(I) obs
Num. measured obs
Num. unique obs
% possible all
2.65-2.74
0.57
2.3
9677
3064
97.5
2.74-2.85
0.419
3
11528
3335
99.7
2.85-2.98
0.304
4.1
11472
3310
99.1
2.98-3.14
0.223
5.5
11550
3354
98.7
3.14-3.34
0.145
8
11370
3373
98.9
3.34-3.59
0.1
10.8
10019
3161
96.6
3.59-3.95
0.071
15.2
11520
3342
99.2
3.95-4.52
0.051
19.7
11471
3355
98.4
4.52-5.67
0.047
20.8
10553
3278
96.4
5.67
0.039
25.3
11382
3554
96.3
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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
July4, 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: 2.65→47.97 Å / Cor.coef. Fo:Fc: 0.9496 / Cor.coef. Fo:Fc free: 0.9231 / Occupancy max: 1 / Occupancy min: 0.75 / 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. PEG FRAGMENTS, CL AND SO4 MODELED ARE PRESENT IN CRYSTALLIZATION CONDITION. 5.NCS RESTRAINTS WERE IMPOSED BY AUTOBUSTER'S LSSR PROCEDURE (-AUTONCS).