解像度: 1.198→28.928 Å / Num. obs: 29115 / % possible obs: 90.4 % / 冗長度: 6.2 % / Rmerge(I) obs: 0.069 / Rsym value: 0.069 / Net I/σ(I): 6.1
反射 シェル
Diffraction-ID: 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
1.2-1.23
1.4
0.204
3.7
1663
1165
0.204
50.7
1.23-1.26
2.5
0.252
2.9
3706
1467
0.252
66
1.26-1.3
3.1
0.215
3.4
5204
1681
0.215
76.3
1.3-1.34
3.8
0.202
3.6
6899
1823
0.202
84.3
1.34-1.39
4.6
0.194
3.7
8891
1918
0.194
92
1.39-1.43
5.8
0.179
3.9
11761
2030
0.179
99.4
1.43-1.49
6.8
0.158
4.5
13363
1963
0.158
99.8
1.49-1.55
6.9
0.135
5.1
13028
1894
0.135
100
1.55-1.62
6.9
0.117
5.8
12539
1816
0.117
99.9
1.62-1.7
6.9
0.111
6.1
12091
1751
0.111
100
1.7-1.79
6.9
0.1
6.5
11497
1674
0.1
100
1.79-1.9
6.8
0.088
7.6
10879
1594
0.088
100
1.9-2.03
6.8
0.076
8.2
10112
1478
0.076
100
2.03-2.19
7.2
0.068
9.4
10076
1390
0.068
99.9
2.19-2.4
7.8
0.073
8.5
10119
1297
0.073
99.9
2.4-2.68
9
0.074
8.2
10446
1164
0.074
99.7
2.68-3.1
9.8
0.07
8.7
10243
1042
0.07
99.3
3.1-3.79
9.4
0.056
10.7
8285
885
0.056
99.1
3.79-5.37
10.2
0.049
12
7056
691
0.049
97.9
5.37-28.92
9.1
0.055
11.4
3578
392
0.055
95.2
-
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
SOLVE
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
MOSFLM
データ削減
CCP4
(SCALA)
データスケーリング
精密化
構造決定の手法: 多波長異常分散 / 解像度: 1.2→28.928 Å / Cor.coef. Fo:Fc: 0.98 / Cor.coef. Fo:Fc free: 0.977 / SU B: 1.142 / SU ML: 0.023 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.039 / ESU R Free: 0.038 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: 1. HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. 2. A MET-INHIBITION PROTOCOL WAS USED FOR SELENOMETHIONINE INCORPORATION DURING PROTEIN EXPRESSION. THE OCCUPANCY OF THE SE ATOMS IN THE ...詳細: 1. HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. 2. 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. 3. A GLYCEROL MOLECULE FROM THE CRYO SOLUTION IS MODELED. 4. ATOM RECORDS CONTAIN RESIDUAL B FACTORS ONLY.
Rfactor
反射数
%反射
Selection details
Rfree
0.147
1488
5.1 %
RANDOM
Rwork
0.12
-
-
-
obs
0.121
29080
90.06 %
-
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