THIS CONSTRUCT WAS EXPRESSED WITH A PURIFICATION TAG MGSDKIHHHHHHENLYFQG. THE TAG WAS REMOVED WITH ...THIS CONSTRUCT WAS EXPRESSED WITH A PURIFICATION TAG MGSDKIHHHHHHENLYFQG. THE TAG WAS REMOVED WITH TEV PROTEASE LEAVING ONLY A GLYCINE (0) FOLLOWED BY RESIDUES 21-148 OF THE TARGET SEQUENCE.
モノクロメーター: double crystal Si(111) / プロトコル: SINGLE WAVELENGTH / 単色(M)・ラウエ(L): M / 散乱光タイプ: x-ray
放射波長
波長: 0.97927 Å / 相対比: 1
反射
解像度: 1.75→29.892 Å / Num. all: 37675 / Num. obs: 37675 / % possible obs: 99.9 % / 冗長度: 7.2 % / Rsym value: 0.081 / Net I/σ(I): 11.8
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
1.75-1.8
7.2
0.689
1.1
19788
2734
0.689
100
1.8-1.84
7.2
0.52
1.5
19212
2654
0.52
100
1.84-1.9
7.2
0.386
2
18860
2605
0.386
100
1.9-1.96
7.2
0.311
2.4
18404
2539
0.311
100
1.96-2.02
7.3
0.216
3.5
17821
2456
0.216
100
2.02-2.09
7.3
0.174
4.3
17260
2377
0.174
100
2.09-2.17
7.2
0.144
5.2
16650
2298
0.144
100
2.17-2.26
7.3
0.126
4.4
16107
2220
0.126
100
2.26-2.36
7.2
0.127
5.3
15375
2121
0.127
100
2.36-2.47
7.3
0.128
5.1
14794
2036
0.128
100
2.47-2.61
7.2
0.118
5.5
14192
1959
0.118
100
2.61-2.77
7.2
0.102
6.4
13351
1851
0.102
100
2.77-2.96
7.3
0.087
7.2
12553
1731
0.087
100
2.96-3.2
7.2
0.077
8.1
11759
1639
0.077
100
3.2-3.5
7.2
0.069
9
10791
1501
0.069
100
3.5-3.91
7.1
0.059
10.5
9812
1376
0.059
100
3.91-4.52
7
0.054
11.2
8544
1228
0.054
99.9
4.52-5.53
6.8
0.063
9.3
7135
1045
0.063
99.9
5.53-7.83
6.6
0.075
8.6
5580
844
0.075
100
7.83-29.892
5.6
0.075
8.6
2573
461
0.075
93
-
位相決定
位相決定
手法: 単波長異常分散
-
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
3.3.20
データスケーリング
REFMAC
精密化
MOSFLM
データ削減
SHELXD
位相決定
精密化
構造決定の手法: 単波長異常分散 / 解像度: 1.75→29.892 Å / Cor.coef. Fo:Fc: 0.968 / Cor.coef. Fo:Fc free: 0.957 / Occupancy max: 1 / Occupancy min: 0.4 / SU B: 4.209 / SU ML: 0.068 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.095 / ESU R Free: 0.098 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 SUM OF TLS AND RESIDUAL B FACTORS. 3. ANISOU RECORD CONTAINS SUM OF TLS AND RESIDUAL U FACTORS. 4. WATERS WERE ...詳細: 1. HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. 2. ATOM RECORD CONTAINS SUM OF TLS AND RESIDUAL B FACTORS. 3. ANISOU RECORD CONTAINS SUM OF TLS AND RESIDUAL U FACTORS. 4. WATERS WERE EXCLUDED FROM AUTOMATIC TLS ASSIGNMENT. 5. 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. 6. 1,2-ETHANEDIOL (EDO) MOLECULES FROM THE CRYOPROTECTION SOLUTION ARE MODELED.
Rfactor
反射数
%反射
Selection details
Rfree
0.2145
1881
5 %
RANDOM
Rwork
0.1774
-
-
-
obs
0.1793
37622
99.84 %
-
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