- PDB-4h1x: Crystal structure of a phosphate ABC transporter, phosphate-bindi... -
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IDまたはキーワード:
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基本情報
登録情報
データベース: PDB / ID: 4h1x
タイトル
Crystal structure of a phosphate ABC transporter, phosphate-binding protein (SP_2084) from Streptococcus pneumoniae TIGR4 at 1.77 A resolution
要素
Phosphate-binding protein pstS 2
キーワード
STRUCTURAL GENOMICS / UNKNOWN FUNCTION / Periplasmic binding protein / PF12849 family / Joint Center for Structural Genomics / JCSG / Protein Structure Initiative / PSI-BIOLOGY
機能・相同性
機能・相同性情報
phosphate ion transport / plasma membrane 類似検索 - 分子機能
THE CONSTRUCT WAS EXPRESSED WITH A PURIFICATION TAG MGSDKIHHHHHHENLYFQG. THE TAG WAS REMOVED WITH ...THE CONSTRUCT WAS EXPRESSED WITH A PURIFICATION TAG MGSDKIHHHHHHENLYFQG. THE TAG WAS REMOVED WITH TEV PROTEASE LEAVING ONLY A GLYCINE (0) FOLLOWED BY RESIDUES 28-291 OF 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
0.97922
1
2
0.91837
1
3
0.97883
1
反射
解像度: 1.77→29.482 Å / Num. obs: 23737 / % possible obs: 88.6 % / Observed criterion σ(I): -3 / Biso Wilson estimate: 19.224 Å2 / Rmerge(I) obs: 0.046 / Net I/σ(I): 11.24
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
1.77-1.83
0.339
2.2
7441
4115
1
88.1
1.83-1.91
0.214
3.3
8375
4715
1
87.7
1.91-1.99
0.178
4.4
5950
3627
1
79.4
1.99-2.1
0.111
6.5
8345
4530
1
88.9
2.1-2.23
0.077
9.4
8340
4532
1
93.2
2.23-2.4
0.063
11.2
8244
4527
1
92.2
2.4-2.64
0.056
12.6
7788
4393
1
89.4
2.64-3.02
0.038
16.6
7132
4228
1
85.5
3.02-3.81
0.03
21.5
8229
4490
1
90.8
3.81-29.482
0.026
23.5
7969
4470
1
89.6
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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
March15, 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: 1.77→29.482 Å / Cor.coef. Fo:Fc: 0.9541 / Cor.coef. Fo:Fc free: 0.9423 / Occupancy max: 1 / Occupancy min: 0.25 / 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 TO ACCOUNT FOR THE ...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 TO ACCOUNT FOR THE REDUCED SCATTERING POWER DUE TO PARTIAL S-MET INCORPORATION. 2. CITRATE (CIT) AND CHLORIDE ION HAS BEEN MODELED INTO THE STRUCTURE. 3. EIGHT RESIDUES AT THE N-TERMINUS ARE DISORDERED AND ARE MISSING IN THE MODEL.