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.
REMARK 999 REMARK 999 SEQUENCE: THE CONSTRUCT WAS EXPRESSED WITH A PURIFICATION REMARK 999 TAG ...REMARK 999 REMARK 999 SEQUENCE: THE CONSTRUCT WAS EXPRESSED WITH A PURIFICATION REMARK 999 TAG MGSDKIHHHHHHENLYFQG. THE TAG WAS REMOVED WITH TEV PROTEASE REMARK 999 LEAVING ONLY A GLYCINE (0) FOLLOWED BY THE TARGET SEQUENCE.
解像度: 1.85→28.772 Å / Num. obs: 22750 / % possible obs: 99.7 % / Observed criterion σ(I): -3 / 冗長度: 8.99 % / Biso Wilson estimate: 16.68 Å2 / Rmerge(I) obs: 0.159 / Net I/σ(I): 8.16
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
1.85-1.92
0.791
2
20840
4428
1
98
1.92-1.99
0.676
2.4
18943
3980
1
100
1.99-2.08
0.513
3.2
20118
4219
1
100
2.08-2.19
0.373
4.3
20877
4372
1
100
2.19-2.33
0.305
5.2
21081
4412
1
100
2.33-2.51
0.246
6.5
20605
4303
1
100
2.51-2.76
0.183
8.4
20446
4276
1
100
2.76-3.16
0.126
11.5
20635
4316
1
100
3.16-3.98
0.075
17.3
20474
4310
1
100
3.98-28.772
0.059
20.5
20469
4329
1
99.7
-
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
XSCALE
データスケーリング
PDB_EXTRACT
3
データ抽出
ADSC
Quantum
データ収集
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: 1.85→28.772 Å / Cor.coef. Fo:Fc: 0.961 / Cor.coef. Fo:Fc free: 0.94 / SU B: 2.371 / SU ML: 0.072 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.109 / ESU R Free: 0.109 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. ATOM RECORDS CONTAIN RESIDUAL B FACTORS ONLY. 3. A MET-INHIBITION PROTOCOL WAS USED FOR SELENOMETHIONINE INCORPORATION DURING PROTEIN ...詳細: 1. HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. 2. ATOM RECORDS CONTAIN RESIDUAL B FACTORS ONLY. 3. 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. 4. CALCIUM IONS, ACETATE (ACT) AND 2-ETHOXYETHANOL (ETX) MODELED ARE PRESENT IN THE CRYSTALLIZATION/CRYO CONDITIONS. 5. RAMACHANDRAN OUTLIER A71 AND ROTAMER OUTLIER A197 ARE SUPPORTED BY CLEARLY DEFINED DENSITY.
Rfactor
反射数
%反射
Selection details
Rfree
0.195
1768
7.8 %
RANDOM
Rwork
0.158
-
-
-
obs
0.161
22714
99.94 %
-
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: BABINET MODEL WITH MASK