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 GLYCINE (0) FOLLOWED BY THE TARGET SEQUENCE.
解像度: 2→28.64 Å / Num. obs: 18535 / % possible obs: 99.1 % / 冗長度: 3.549 % / Biso Wilson estimate: 32.644 Å2 / Rmerge(I) obs: 0.056 / Net I/σ(I): 8.86
反射 シェル
Diffraction-ID: 1
解像度 (Å)
最高解像度 (Å)
Rmerge(I) obs
Mean I/σ(I) obs
Num. measured obs
Num. unique obs
% possible all
2-2.07
0.342
2.33
5734
3012
97.3
2.07-2.15
0.229
3.5
6088
3195
94.3
2.15-2.25
0.174
4.4
6496
3398
95.2
2.25-2.37
0.133
5.6
6508
3410
96.7
2.37-2.52
0.109
6.5
6533
3413
97.1
2.52-2.71
0.083
8.1
6370
3330
97.5
2.71-2.99
0.059
10.4
6673
3495
98
2.99-3.42
0.045
13.6
6534
3403
98.7
3.42
0.037
17.2
6541
3430
99.2
-
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
5.2.0005
精密化
XSCALE
データスケーリング
PDB_EXTRACT
1.701
データ抽出
XDS
データ削減
SOLVE
位相決定
精密化
構造決定の手法: 多波長異常分散 / 解像度: 2→28.64 Å / Cor.coef. Fo:Fc: 0.956 / Cor.coef. Fo:Fc free: 0.94 / SU B: 6.879 / SU ML: 0.102 / TLS residual ADP flag: LIKELY RESIDUAL / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.152 / ESU R Free: 0.144 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. GLYCEROL WAS MODELED INTO THE STRUCTURE BASED ON THE CRYSTALLIZATION CONDITIONS. 4. ATOM RECORD CONTAINS RESIDUAL B FACTORS ONLY.
Rfactor
反射数
%反射
Selection details
Rfree
0.218
958
5.2 %
RANDOM
Rwork
0.176
-
-
-
obs
0.178
18491
99.32 %
-
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