- PDB-4qrl: Crystal structure of a lipocalin-like protein (BACUNI_01346) from... -
+
データを開く
IDまたはキーワード:
読み込み中...
-
基本情報
登録情報
データベース: PDB / ID: 4qrl
タイトル
Crystal structure of a lipocalin-like protein (BACUNI_01346) from Bacteroides uniformis ATCC 8492 at 1.79 A resolution
要素
Hypothetical protein
キーワード
STRUCTURAL GENOMICS / UNKNOWN FUNCTION / Lipocalin-like protein / Joint Center for Structural Genomics / JCSG / Protein Structure Initiative / PSI-BIOLOGY
THE CONSTRUCT (21-135) WAS EXPRESSED WITH A PURIFICATION TAG MGSDKIHHHHHHENLYFQG. THE TAG WAS ...THE CONSTRUCT (21-135) 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: SINGLE WAVELENGTH / 単色(M)・ラウエ(L): M / 散乱光タイプ: x-ray
放射波長
波長: 0.91837 Å / 相対比: 1
反射
解像度: 1.79→39.225 Å / Num. obs: 10664 / % possible obs: 99.6 % / Observed criterion σ(I): -3 / 冗長度: 6.34 % / Biso Wilson estimate: 28.043 Å2 / Rmerge(I) obs: 0.055 / Net I/σ(I): 18.23
反射 シェル
Diffraction-ID: 1
解像度 (Å)
冗長度 (%)
Rmerge(I) obs
Mean I/σ(I) obs
Num. measured obs
Num. unique obs
% possible all
1.79-1.85
6.67
0.725
2.43
6578
986
99.9
1.85-1.93
0.461
3.7
7411
1134
99.6
1.93-2.02
0.314
5.3
6622
1055
99.4
2.02-2.12
0.209
8
6302
995
99.9
2.12-2.25
0.163
10.5
6843
1023
100
2.25-2.43
0.129
13.1
7233
1100
99.9
2.43-2.67
0.091
17.9
6294
1036
98.4
2.67-3.06
0.058
28.2
7206
1091
99.8
3.06-3.85
0.037
41
6283
1079
99.5
3.85-39.23
0.027
47.5
6816
1165
99.3
-
位相決定
位相決定
手法: 分子置換
-
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
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: 1.79→39.225 Å / Cor.coef. Fo:Fc: 0.9636 / Cor.coef. Fo:Fc free: 0.9302 / Occupancy max: 1 / Occupancy min: 0.35 / 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. EDO MODELED WAS PRESENT IN CRYO CONDITION. 4. THE STRUCTURE WAS SOLVED BY MOLECULAR REPLACEMENT.