SEQUENCE THE CONSTRUCT WAS EXPRESSED WITH A PURIFICATION TAG MGSDKIHHHHHHENLYFQG. THE TAG WAS ... SEQUENCE THE CONSTRUCT WAS EXPRESSED WITH A PURIFICATION TAG MGSDKIHHHHHHENLYFQG. THE TAG WAS REMOVED WITH TEV PROTEASE LEAVING ONLY A GLYCINE, FOLLOWED BY THE TARGET SEQUENCE.
解像度: 1.52→28.89 Å / Num. obs: 40951 / % possible obs: 100 % / 冗長度: 6.9 % / Biso Wilson estimate: 23.88 Å2 / Rmerge(I) obs: 0.068 / Rsym value: 0.068 / Net I/σ(I): 6.2
反射 シェル
Diffraction-ID: 1,2
解像度 (Å)
冗長度 (%)
Rmerge(I) obs
Mean I/σ(I) obs
Num. measured all
Num. unique all
Rsym value
% possible all
1.52-1.56
5.1
0.811
0.9
15275
2993
0.811
100
1.56-1.6
5.2
0.649
1.2
14959
2895
0.649
100
1.6-1.65
5.2
0.501
1.5
14716
2823
0.501
100
1.65-1.7
5.3
0.381
2
14415
2736
0.381
100
1.7-1.76
5.3
0.333
2.3
14377
2695
0.333
100
1.76-1.82
5.4
0.247
3.1
13754
2557
0.247
100
1.82-1.89
5.4
0.198
3.8
13660
2521
0.198
100
1.89-1.96
5.4
0.159
4.6
12989
2406
0.159
100
1.96-2.05
5.5
0.123
5.6
12474
2288
0.123
100
2.05-2.15
5.4
0.103
6.5
12122
2242
0.103
100
2.15-2.27
6.7
0.123
5
14182
2111
0.123
100
2.27-2.4
9.4
0.128
5.2
18938
2012
0.128
100
2.4-2.57
10.9
0.108
6
20388
1878
0.108
100
2.57-2.78
10.9
0.087
7.6
19205
1766
0.087
100
2.78-3.04
10.9
0.07
9.2
17848
1638
0.07
100
3.04-3.4
10.7
0.061
10.1
15972
1486
0.061
100
3.4-3.92
10.6
0.051
11.2
14153
1329
0.051
100
3.92-4.81
10.4
0.051
11.6
11819
1141
0.051
100
4.81-6.8
9.9
0.05
12.4
8923
897
0.05
100
6.8-28.94
7.7
0.045
12.5
4143
537
0.045
98.7
-
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
SHELX
位相決定
REFMAC
5.2.0019
精密化
SCALA
データスケーリング
PDB_EXTRACT
2
データ抽出
MAR345
CCD
データ収集
MOSFLM
データ削減
CCP4
(SCALA)
データスケーリング
SHELXD
位相決定
autoSHARP
位相決定
精密化
構造決定の手法: 多波長異常分散 / 解像度: 1.52→28.89 Å / Cor.coef. Fo:Fc: 0.975 / Cor.coef. Fo:Fc free: 0.961 / SU B: 3.072 / SU ML: 0.054 / TLS residual ADP flag: LIKELY RESIDUAL / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.063 / ESU R Free: 0.069 立体化学のターゲット値: MAXIMUM LIKELIHOOD WITH PHASES 詳細: 1. HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. 2. ATOM RECORD CONTAINS RESIDUAL B FACTORS ONLY. 3. A MET-INHIBITION PROTOCOL WAS USED FOR SELENOMETHIONINE INCORPORATION DURING PROTEIN ...詳細: 1. HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. 2. ATOM RECORD CONTAINS RESIDUAL B FACTORS ONLY. 3. 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. 4. PG4 AND GOL ARE MODELED BASED ON THE CRYSTALLIZATION CONDITIONS. 5. B21 HAS POORLY DEFINED ELECTRON DENSITY. RESIDUES 0-7 IN BOTH CHAINS (A AND B) ARE DISORDERED.
Rfactor
反射数
%反射
Selection details
Rfree
0.202
2051
5 %
RANDOM
Rwork
0.166
-
-
-
all
0.168
-
-
-
obs
0.168
40897
99.9 %
-
溶媒の処理
イオンプローブ半径: 0.8 Å / 減衰半径: 0.8 Å / VDWプローブ半径: 1.2 Å / 溶媒モデル: BABINET MODEL WITH MASK