- PDB-4ib2: Crystal structure of a putative lipoprotein (RUMGNA_00858) from R... -
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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: 4ib2
タイトル
Crystal structure of a putative lipoprotein (RUMGNA_00858) from Ruminococcus gnavus ATCC 29149 at 1.76 A resolution
要素
Putative Lipoprotein
キーワード
TRANSPORT PROTEIN / putative methionine-bindning / NLPA lipoprotein / PF03180 family / Structural Genomics / Joint Center for Structural Genomics / JCSG / Protein Structure Initiative / PSI-BIOLOGY
THIS CONSTRUCT WAS EXPRESSED WITH A PURIFICATION TAG MGSDKIHHHHHHENLYFQG. THE TAG WAS REMOVED WITH ...THIS CONSTRUCT WAS EXPRESSED WITH A PURIFICATION TAG MGSDKIHHHHHHENLYFQG. THE TAG WAS REMOVED WITH TEV PROTEASE LEAVING ONLY A GLYCINE (0) FOLLOWED BY RESIDUES 28-278 OF THE TARGET SEQUENCE.
タイプ: MARMOSAIC 325 mm CCD / 検出器: CCD / 日付: 2010年6月9日 詳細: Flat mirror (vertical focusing); single crystal Si(111) bent monochromator (ho rizontal focusing)
放射
モノクロメーター: single crystal Si(111) bent / 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: 1 Å / 相対比: 1
反射
解像度: 1.76→40.876 Å / Num. obs: 41851 / % possible obs: 96.1 % / Observed criterion σ(I): -3 / Biso Wilson estimate: 19.456 Å2 / Rmerge(I) obs: 0.059 / Net I/σ(I): 16.9
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
1.76-1.82
0.562
2.4
15284
3914
93.5
1.82-1.9
0.399
3.3
17710
4510
95.2
1.9-1.98
0.281
4.7
15055
3841
95.2
1.98-2.09
0.195
6.7
17216
4389
95.6
2.09-2.22
0.143
9
16231
4135
96
2.22-2.39
0.104
12
16309
4183
96.3
2.39-2.63
0.075
16.4
16345
4174
96.8
2.63-3.01
0.052
23.2
16452
4217
97.1
3.01-3.78
0.029
37.9
16136
4169
97
3.78
0.02
51.8
16823
4319
98
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位相決定
位相決定
手法: 分子置換
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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
PHASER
2.3.0
位相決定
XSCALE
January30, 2009
データスケーリング
BUSTER-TNT
2.10.0
精密化
XDS
データ削減
BUSTER
2.10.0
精密化
精密化
構造決定の手法: 分子置換 / 解像度: 1.76→40.876 Å / Cor.coef. Fo:Fc: 0.9584 / Cor.coef. Fo:Fc free: 0.9502 / Occupancy max: 1 / Occupancy min: 0.5 / 交差検証法: THROUGHOUT / σ(F): 0 詳細: 1. ATOM RECORD CONTAINS SUM OF TLS AND RESIDUAL B FACTORS. 2. ANISOU RECORD CONTAINS SUM OF TLS AND RESIDUAL U FACTORS. 3. NCS RESTRAINTS WERE IMPOSED BY AUTOBUSTER'S LSSR PROCEDURE (-AUTONCS) ...詳細: 1. ATOM RECORD CONTAINS SUM OF TLS AND RESIDUAL B FACTORS. 2. ANISOU RECORD CONTAINS SUM OF TLS AND RESIDUAL U FACTORS. 3. NCS RESTRAINTS WERE IMPOSED BY AUTOBUSTER'S LSSR PROCEDURE (-AUTONCS). 4. CHLORIDE (CL) AND GLYCEROL (GOL) FROM THE PURIFICATION AND CRYOPROTECTANT SOLUTION ARE MODELED. 5. ENDOGENOUS METHIONINE (MET) HAS BEEN MODELED AT THE PUTATIVE ACTIVE SITE BASED ON ELECTRON DENSITY AND COMPARISON WITH OTHER SIMILAR PROTEIN STRUCTURES AND IS LIKELY THE NATURAL LIGAND.