THE CONSTRUCT (25-150) WAS EXPRESSED WITH A PURIFICATION TAG MGSDKIHHHHHHENLYFQG. THE TAG WAS ...THE CONSTRUCT (25-150) 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
0.97839
1
2
0.91837
1
3
0.9798
1
反射
解像度: 2.6→42.712 Å / Num. obs: 8129 / % possible obs: 93.4 % / Observed criterion σ(I): -3 / 冗長度: 5.033 % / Biso Wilson estimate: 91.209 Å2 / Rmerge F obs: 0.999 / Rmerge(I) obs: 0.043 / Rrim(I) all: 0.047 / Net I/σ(I): 20.71 / Num. measured all: 73713
反射 シェル
解像度 (Å)
Rmerge F obs
Rmerge(I) obs
Mean I/σ(I) obs
Num. measured obs
Num. possible
Num. unique obs
Rrim(I) all
Diffraction-ID
% possible all
2.55-2.64
0.708
1.054
1.2
2885
1543
584
1.175
1
37.8
2.64-2.75
0.829
0.758
1.9
8091
1633
1619
0.846
99.1
2.75-2.87
0.918
0.469
3.2
7146
1483
1466
0.525
98.9
2.87-3.02
0.977
0.233
5.9
8326
1574
1570
0.258
99.7
3.02-3.21
0.989
0.149
9.8
8116
1567
1563
0.166
99.7
3.21-3.46
0.997
0.087
15.5
7540
1589
1578
0.097
99.3
3.46-3.8
0.998
0.053
25.1
7960
1544
1537
0.059
99.5
3.8-4.35
0.999
0.033
36.8
7943
1581
1571
0.037
99.4
4.35-5.46
0.999
0.029
45.3
7902
1559
1556
0.032
99.8
5.46-42.712
0.999
0.026
49.3
7804
1614
1603
0.028
99.3
-
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
PDB_EXTRACT
3.1
データ抽出
XDS
データスケーリング
XSCALE
January10, 2014BUILT=20140307
データスケーリング
BUSTER-TNT
2.10.0
精密化
SHELX
位相決定
SHARP
位相決定
BUSTER
2.10.0
精密化
SHELXD
位相決定
精密化
構造決定の手法: 多波長異常分散 / 解像度: 2.6→42.712 Å / Cor.coef. Fo:Fc: 0.909 / Cor.coef. Fo:Fc free: 0.8535 / 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.