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 (0) FOLLOWED BY THE TARGET SEQUENCE.
モノクロメーター: Single crystal Si(111) bent (horizontal focusing) 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
0.91837
1
2
0.97966
1
反射
解像度: 2.2→29.975 Å / Num. obs: 11329 / % possible obs: 100 % / 冗長度: 3.4 % / Biso Wilson estimate: 24.92 Å2 / Rmerge(I) obs: 0.089 / Rsym value: 0.089 / Net I/σ(I): 7
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
2.2-2.26
3.5
0.417
1.8
2806
799
0.417
100
2.26-2.32
3.5
0.378
2
2866
810
0.378
100
2.32-2.39
3.5
0.348
2.2
2659
763
0.348
100
2.39-2.46
3.5
0.314
2.4
2702
770
0.314
100
2.46-2.54
3.5
0.253
3
2556
730
0.253
100
2.54-2.63
3.5
0.215
3.6
2428
692
0.215
100
2.63-2.73
3.5
0.211
3.5
2511
717
0.211
100
2.73-2.84
3.5
0.178
4.2
2227
638
0.178
100
2.84-2.97
3.5
0.136
5.6
2286
658
0.136
100
2.97-3.11
3.5
0.11
6.5
2093
604
0.11
100
3.11-3.28
3.5
0.086
8.5
2021
582
0.086
100
3.28-3.48
3.5
0.071
9.7
1940
560
0.071
100
3.48-3.72
3.4
0.057
11.3
1742
514
0.057
100
3.72-4.02
3.4
0.059
10.9
1689
497
0.059
100
4.02-4.4
3.4
0.054
10.9
1581
463
0.054
100
4.4-4.92
3.3
0.047
13.7
1372
411
0.047
100
4.92-5.68
3.3
0.05
12
1260
382
0.05
100
5.68-6.96
3.2
0.055
10.8
1046
328
0.055
100
6.96-9.84
3
0.037
17.7
757
255
0.037
100
9.84-29.975
2.8
0.037
13.3
429
156
0.037
96.7
-
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
REFMAC
5.2.0019
精密化
PHENIX
精密化
SOLVE
位相決定
MolProbity
3beta29
モデル構築
SCALA
データスケーリング
PDB_EXTRACT
3
データ抽出
MAR345
CCD
データ収集
MOSFLM
データ削減
精密化
構造決定の手法: 多波長異常分散 / 解像度: 2.2→29.975 Å / Cor.coef. Fo:Fc: 0.955 / Cor.coef. Fo:Fc free: 0.921 / SU B: 13.382 / SU ML: 0.167 / TLS residual ADP flag: LIKELY RESIDUAL / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.334 / ESU R Free: 0.239 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. ATOM RECORD CONTAINS RESIDUAL B FACTORS ONLY. 4. SULFATE (SO4) AND ETHYLENE GLYCOL (EDO) ARE MODELED BASED ON THE CRYSTALLIZATION/CRYO CONDITIONS.
Rfactor
反射数
%反射
Selection details
Rfree
0.248
1104
9.8 %
RANDOM
Rwork
0.184
-
-
-
obs
0.19
11284
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: MASK