THE CONSTRUCT (25-164) WAS EXPRESSED WITH A PURIFICATION TAG MGSDKIHHHHHHENLYFQG. THE TAG WAS ...THE CONSTRUCT (25-164) 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→29.304 Å / Num. obs: 72996 / % possible obs: 98.2 % / Observed criterion σ(I): -3 / 冗長度: 2.035 % / Biso Wilson estimate: 6.458 Å2 / Rmerge F obs: 0.999 / Rmerge(I) obs: 0.038 / Rrim(I) all: 0.05 / Net I/σ(I): 12.26 / Num. measured all: 281103
反射 シェル
解像度 (Å)
最高解像度 (Å)
Rmerge F obs
Rmerge(I) obs
Mean I/σ(I) obs
Num. measured obs
Num. possible
Num. unique obs
Rrim(I) all
Diffraction-ID
% possible all
1-1.04
0.509
0.644
1.4
28050
15574
14545
0.851
1
93.4
1.04-1.08
0.71
0.418
2.2
26082
13410
13305
0.551
99.2
1.08-1.13
0.867
0.252
3.5
27908
14190
14088
0.333
99.3
1.13-1.19
0.929
0.18
4.8
27680
13975
13838
0.236
99
1.19-1.26
0.95
0.148
5.8
26391
13198
13077
0.195
99.1
1.26-1.36
0.972
0.111
7.7
28968
14382
14197
0.146
98.7
1.36-1.49
0.985
0.078
10.5
27483
13404
13268
0.103
99
1.49-1.71
0.995
0.047
16.5
29815
14363
14232
0.062
99.1
1.71-2.15
0.998
0.026
27.9
29283
14023
13810
0.034
98.5
2.15
0.999
0.015
42.4
29443
14178
13799
0.021
97.3
-
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
PDB_EXTRACT
3.1
データ抽出
SHELX
位相決定
SHARP
位相決定
XSCALE
November3, 2014BUILT=20141118
データスケーリング
REFMAC
5.8.0107
精密化
SHELXD
位相決定
XDS
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: 1→29.304 Å / Cor.coef. Fo:Fc: 0.984 / Cor.coef. Fo:Fc free: 0.977 / Occupancy max: 1 / Occupancy min: 0.2 / SU B: 0.632 / SU ML: 0.014 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.021 / ESU R Free: 0.022 立体化学のターゲット値: MAXIMUM LIKELIHOOD WITH PHASES 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. THE MAD PHASES WERE USED AS RESTRAINTS DURING REFINEMENT. 3. HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. 4. PEG (P6G), BEZ, CA AND ACT MODELED WERE PRESENT IN CRYSTALLIZATION/PROTEIN CONDITION.
Rfactor
反射数
%反射
Selection details
Rfree
0.1365
3681
5 %
RANDOM
Rwork
0.116
69234
-
-
obs
0.117
72915
99.41 %
-
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