THE CONSTRUCT (RESIDUES 18-228) WAS EXPRESSED WITH A PURIFICATION TAG MGSDKIHHHHHHENLYFQG. THE TAG ...THE CONSTRUCT (RESIDUES 18-228) WAS EXPRESSED WITH A PURIFICATION TAG MGSDKIHHHHHHENLYFQG. THE TAG WAS REMOVED WITH TEV PROTEASE LEAVING ONLY A GLYCINE (0) FOLLOWED BY THE TARGET SEQUENCE.
解像度: 1.65→29.136 Å / Num. all: 38945 / Num. obs: 38945 / % possible obs: 99.9 % / 冗長度: 6.1 % / Biso Wilson estimate: 27.423 Å2 / Rsym value: 0.076 / Net I/σ(I): 10.9
反射 シェル
Diffraction-ID: 1
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
1.65-1.69
6.1
0.782
1
17523
2855
0.782
100
1.69-1.74
6.1
0.655
1.2
17129
2787
0.655
100
1.74-1.79
6.2
0.51
1.5
16454
2672
0.51
100
1.79-1.84
6.2
0.398
1.9
16270
2632
0.398
100
1.84-1.91
6.2
0.32
2.3
15778
2559
0.32
100
1.91-1.97
6.2
0.26
2.8
15215
2464
0.26
100
1.97-2.05
6.2
0.197
3.5
14795
2386
0.197
100
2.05-2.13
6.2
0.155
4.3
14231
2301
0.155
100
2.13-2.22
6.2
0.133
5
13521
2188
0.133
100
2.22-2.33
6.2
0.12
5.5
13094
2117
0.12
100
2.33-2.46
6.2
0.113
5.7
12340
1996
0.113
100
2.46-2.61
6.2
0.104
6
11888
1920
0.104
100
2.61-2.79
6.2
0.089
6.9
11081
1787
0.089
100
2.79-3.01
6.2
0.077
8.3
10431
1679
0.077
100
3.01-3.3
6.2
0.066
9.9
9568
1553
0.066
100
3.3-3.69
6.1
0.059
10.7
8673
1411
0.059
100
3.69-4.26
6.1
0.051
12.6
7636
1256
0.051
100
4.26-5.22
6
0.047
14
6427
1073
0.047
99.9
5.22-7.38
5.9
0.049
13.8
5010
851
0.049
99.8
7.38-29.136
4.8
0.042
16.3
2214
458
0.042
92.9
-
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
SCALA
3.3.15
データスケーリング
REFMAC
5.5.0110
精密化
MOSFLM
データ削減
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: 1.65→29.136 Å / Cor.coef. Fo:Fc: 0.971 / Cor.coef. Fo:Fc free: 0.965 / Occupancy max: 1 / Occupancy min: 0.33 / SU B: 3.131 / SU ML: 0.051 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.074 / ESU R Free: 0.074 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. 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. ETHYLENE GLYCOL (EDO) MODELED ARE PRESENT IN CRYO CONDITION. 4. ATOM RECORD CONTAINS SUM OF TLS AND RESIDUAL B FACTORS. ANISOU RECORD CONTAINS SUM OF TLS AND RESIDUAL U FACTORS.
Rfactor
反射数
%反射
Selection details
Rfree
0.1936
1950
5 %
RANDOM
Rwork
0.1706
-
-
-
obs
0.1717
38890
99.8 %
-
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: MASK