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 THE TARGET SEQUENCE.
モノクロメーター: Single crystal Si(111) bent monochromator (horizontal focusing) 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
0.91837
1
2
0.97922
1
3
0.97898
1
反射
解像度: 2.54→29.88 Å / Num. obs: 37971 / % possible obs: 99.3 % / Observed criterion σ(I): -3 / Biso Wilson estimate: 70.646 Å2 / Rmerge(I) obs: 0.074 / Net I/σ(I): 11.66
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
2.55-2.64
0.822
1.6
25491
6488
94.1
2.64-2.75
0.608
2.3
29122
7199
99.9
2.75-2.87
0.468
3
27020
6646
100
2.87-3.02
0.357
3.8
27929
6877
100
3.02-3.21
0.239
5.7
28660
7059
100
3.21-3.46
0.143
9.3
28214
6931
100
3.46-3.8
0.084
15.1
27761
6846
100
3.8-4.35
0.06
21.4
28129
6985
100
4.35-5.46
0.049
24.6
27811
6898
100
5.46
0.035
28.9
28082
7085
99.1
-
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
SHELX
位相決定
BUSTER-TNT
BUSTER2.8.0
精密化
XSCALE
dataprocessing
PDB_EXTRACT
3.1
データ抽出
XDS
データ削減
XSCALE
データスケーリング
SHELXD
位相決定
autoSHARP
位相決定
BUSTER
2.8.0
精密化
精密化
構造決定の手法: 多波長異常分散 / 解像度: 2.54→29.88 Å / Cor.coef. Fo:Fc: 0.9546 / Cor.coef. Fo:Fc free: 0.9399 / Occupancy max: 1 / Occupancy min: 0.5 / 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. NCS RESTRAINTS WERE APPLIED USING BUSTER'S LSSR RESTRAINT REPRESENTATION (-AUTONCS). 3. ATOM RECORD CONTAINS SUM OF TLS AND RESIDUAL B FACTORS. ANISOU RECORD CONTAINS SUM OF TLS AND RESIDUAL U FACTORS.