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. THE CLONED CONSTRUCT CONTAINS RESIDUES 26-327 OF THE FULL LENGTH PROTEIN.
解像度: 1.3→28.63 Å / Num. obs: 70966 / % possible obs: 96.5 % / Observed criterion σ(I): -3 / Biso Wilson estimate: 10.873 Å2 / Rmerge(I) obs: 0.042 / Net I/σ(I): 11.43
反射 シェル
解像度 (Å)
Rmerge(I) obs
Mean I/σ(I) obs
Num. measured obs
Num. unique obs
Diffraction-ID
% possible all
1.3-1.35
0.405
2
23509
12539
1
84.9
1.35-1.4
0.329
2.4
23967
12275
1
95.8
1.4-1.46
0.248
3.2
25502
12822
1
97.8
1.46-1.54
0.172
4.7
29061
14373
1
99
1.54-1.64
0.121
6.6
29132
14174
1
99.1
1.64-1.76
0.087
9
27001
12992
1
98.8
1.76-1.94
0.057
12.9
29030
13911
1
98.4
1.94-2.22
0.039
18.5
28397
13537
1
97.6
2.22-2.8
0.029
23.5
28874
13646
1
97.7
2.8-28.63
0.022
30.1
28480
13372
1
96.4
-
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
REFMAC
5.4.0067
精密化
PHENIX
精密化
SHELX
位相決定
MolProbity
3beta29
モデル構築
XSCALE
データスケーリング
PDB_EXTRACT
3.004
データ抽出
XDS
データ削減
SHELXD
位相決定
autoSHARP
位相決定
精密化
構造決定の手法: 多波長異常分散 / 解像度: 1.3→28.63 Å / Cor.coef. Fo:Fc: 0.971 / Cor.coef. Fo:Fc free: 0.966 / SU B: 0.727 / SU ML: 0.031 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.048 / ESU R Free: 0.048 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 TO ACCOUNT FOR THE REDUCED SCATTERING POWER DUE TO PARTIAL S-MET INCORPORATION. 3.CHLORIDE IONS FROM CRYSTALLIZATION AND GLYCEROL MOLECULE FROM CRYO CONDITION ARE MODELED IN THE STRUCTURE.
Rfactor
反射数
%反射
Selection details
Rfree
0.172
3596
5.1 %
RANDOM
Rwork
0.157
-
-
-
obs
0.158
70928
99.13 %
-
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