THE CONSTRUCT (RESIDUES 30-904) WAS EXPRESSED WITH A PURIFICATION TAG MGSDKIHHHHHHENLYFQG. THE TAG ...THE CONSTRUCT (RESIDUES 30-904) 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
0.97894
1
2
0.97949
1
3
0.92522
1
反射
解像度: 2.8→47.876 Å / Num. obs: 36526 / % possible obs: 99.7 % / Observed criterion σ(I): -3 / Biso Wilson estimate: 78.337 Å2 / Rmerge(I) obs: 0.138 / Net I/σ(I): 13.97
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
2.8-2.87
0.012
1.6
15913
2668
1
99.5
2.87-2.95
0.012
2.4
24388
2616
1
99.9
2.95-3.04
0.012
3.4
26820
2513
1
100
3.04-3.13
0.012
4
25930
2439
1
100
3.13-3.23
0.012
5.8
25400
2406
1
100
3.23-3.35
0.012
7.5
24129
2310
1
100
3.35-3.47
0.012
9.7
23072
2234
1
100
3.47-3.61
0.012
11.8
22161
2158
1
99.9
3.61-3.78
0.012
14.2
20704
2087
1
99.9
3.78-3.96
0.012
16.5
18632
1967
1
99.8
3.96-4.17
0.012
18.6
15600
1847
1
98.7
4.17-4.43
0.012
21.7
18774
1811
1
99.9
4.43-4.73
0.012
25.7
17747
1693
1
99.9
4.73-5.11
0.012
26.6
16244
1578
1
99.9
5.11-5.6
0.012
24.5
14967
1461
1
100
5.6-6.26
0.012
23.9
13201
1340
1
99.7
6.26-7.23
0.012
24.6
10936
1179
1
99.6
7.23-8.85
0.012
29.7
8425
986
1
96.7
8.85-12.52
0.012
42.3
8054
809
1
99.9
12.52-47.876
0.012
45.5
4203
481
1
97.2
-
位相決定
位相決定
手法: 多波長異常分散
-
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
December29, 2011
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: 2.8→47.876 Å / Cor.coef. Fo:Fc: 0.9363 / Cor.coef. Fo:Fc free: 0.9004 / 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. RAMACHANDRAN OUTLIER (GLY229) IS LOCATED AT A REGION WITH POOR DENSITY. 5. SODIUM AND CHLORIDE MODELED WERE PRESENT IN THE CRYSTALLIZATION CONDITIONS.