SEQUENCE THE CONSTRUCT WAS EXPRESSED WITH A PURIFICATION TAG MGSDKIHHHHHHENLYFQG. THE CONSTRUCT ... SEQUENCE THE CONSTRUCT WAS EXPRESSED WITH A PURIFICATION TAG MGSDKIHHHHHHENLYFQG. THE CONSTRUCT WAS ENGINEERED WITH THE FOLLOWING MUTATIONS: Q72Y, Q76Y, E77Y.
REMARK 999 SEQUENCE: THE CONSTRUCT WAS EXPRESSED WITH A PURIFICATION REMARK 999 TAG ...REMARK 999 SEQUENCE: THE CONSTRUCT WAS EXPRESSED WITH A PURIFICATION REMARK 999 TAG MGSDKIHHHHHHENLYFQG. THE CONSTRUCT WAS ENGINEERED WITH REMARK 999 THE FOLLOWING MUTATIONS: Q72Y, Q76Y, E77Y.
解像度: 2.1→29.761 Å / Num. obs: 16887 / % possible obs: 98.8 % / Observed criterion σ(I): -3 / Biso Wilson estimate: 29.47 Å2 / Rmerge(I) obs: 0.102 / Net I/σ(I): 9.75
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
2.1-2.17
0.653
2.1
10523
2793
1
95.8
2.17-2.26
0.539
2.5
12478
3280
1
100
2.26-2.36
0.475
2.9
11500
3011
1
100
2.36-2.49
0.359
3.8
12593
3294
1
100
2.49-2.64
0.25
5.2
11429
2987
1
99.9
2.64-2.85
0.172
7.4
12283
3215
1
100
2.85-3.13
0.11
11.1
11523
3046
1
99.8
3.13-3.59
0.067
16.1
11787
3160
1
99.5
3.59-4.51
0.043
22.4
11177
3052
1
98.4
4.51-29.761
0.038
24.4
10704
2977
1
93.9
-
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
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
データ抽出
ADSC
Quantum
データ収集
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: 2.1→29.761 Å / Cor.coef. Fo:Fc: 0.956 / Cor.coef. Fo:Fc free: 0.937 / SU B: 8.568 / SU ML: 0.115 / TLS residual ADP flag: LIKELY RESIDUAL / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.187 / ESU R Free: 0.159 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. EDO AND IPA MOLECULES FROM THE CRYSTALLIZATION/CRYO SOLUTIONS ARE MODELED. 5. THERE ARE SOME UNMODELED DENSITIES NEAR RESIDUES B51-52.
Rfactor
反射数
%反射
Selection details
Rfree
0.212
849
5 %
RANDOM
Rwork
0.178
-
-
-
obs
0.179
16836
99.82 %
-
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