A: Putative ubiquinone biosynthesis protein B: Putative ubiquinone biosynthesis protein C: Putative ubiquinone biosynthesis protein D: Putative ubiquinone biosynthesis protein
THE CONSTRUCT WAS EXPRESSED WITH A PURIFICATION TAG MGSDKIHHHHHHENLYFQG. THE TAG WAS REMOVED WITH ...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.
-
実験情報
-
実験
実験
手法: X線回折 / 使用した結晶の数: 1
-
試料調製
結晶
マシュー密度: 3.05 Å3/Da / 溶媒含有率: 59.65 % 解説: DATA WERE SCALED USING XSCALE WITH FRIEDEL PAIRS KEPT AS SEPARATE WHEN COMPUTING R-SYM, COMPLETENESS AND
モノクロメーター: Single crystal Si(111) bent monochromator (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
0.97937
1
3
0.97882
1
反射
解像度: 2.85→49.266 Å / Num. obs: 26383 / % possible obs: 82.4 % / Observed criterion σ(I): -3 / Biso Wilson estimate: 86.669 Å2 / Rmerge(I) obs: 0.093 / Net I/σ(I): 9.23
反射 シェル
解像度 (Å)
Rmerge(I) obs
Mean I/σ(I) obs
Num. measured obs
Num. unique obs
% possible all
2.85-2.92
1.11
0.99
8232
3567
83.8
2.92-3
0.839
1.28
7846
3407
83.8
3-3.09
0.688
1.61
7652
3311
83.4
3.09-3.19
0.463
2.31
7499
3250
83.5
3.19-3.29
0.332
3.15
7403
3163
83.4
3.29-3.41
0.261
4.12
7076
3032
82.7
3.41-3.54
0.189
5.38
6667
2878
83.1
3.54-3.68
0.132
7.51
6571
2793
82.9
3.68-3.84
0.105
9.36
6221
2652
82.4
3.84-4.03
0.085
11.1
6022
2560
82.2
4.03-4.25
0.069
13.4
5714
2415
81.8
4.25-4.51
0.055
15.3
5337
2258
81.6
4.51-4.82
0.048
17.3
5080
2139
81.3
4.82-5.2
0.049
16.8
4706
1975
81.7
5.2-5.7
0.052
17.4
4327
1823
81.3
5.7-6.37
0.048
17.3
3948
1651
81.2
6.37-7.36
0.041
20.2
3468
1451
81.3
7.36-9.01
0.035
24.8
2916
1207
80.3
9.01-12.75
0.027
30.9
2233
931
80.4
12.75-49.27
0.028
31
1152
488
75.4
-
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
PHENIX
精密化
SHELX
位相決定
XSCALE
データスケーリング
PDB_EXTRACT
3.006
データ抽出
XDS
データ削減
SHELXD
位相決定
autoSHARP
位相決定
BUSTER
2.8.0
精密化
精密化
構造決定の手法: 多波長異常分散 / 解像度: 2.85→49.266 Å / Cor.coef. Fo:Fc: 0.937 / Cor.coef. Fo:Fc free: 0.912 / Occupancy max: 1 / Occupancy min: 0.75 / 交差検証法: THROUGHOUT / σ(F): 0 詳細: 1. 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 ...詳細: 1. 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. 2. B-FACTORS CONTAIN BOTH TLS AND RESIDUAL COMPONENTS.