SEQUENCE THE ELECTRON DENSITY CLEARLY INDICATES THAT THE RESIDUE AT POSITION 135 IS A TRYPTOPHAN ...SEQUENCE THE ELECTRON DENSITY CLEARLY INDICATES THAT THE RESIDUE AT POSITION 135 IS A TRYPTOPHAN AND NOT AN ARGININE. DNA SEQUENCING OF THE CLONED CONSTRUCT CONFIRMS THIS OBSERVATION. THE STRAIN OF THE SOURCE DNA CLONED IS NOT CERTAIN AND MAY DIFFER FROM THE DSM-1728 STRAIN SEQUENCED IN THE DATABASE.
Remark 300
BIOMOLECULE: 1 THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT WHICH CONSISTS OF 2 CHAIN(S) ...BIOMOLECULE: 1 THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT WHICH CONSISTS OF 2 CHAIN(S). SEE REMARK 350 FOR INFORMATION ON GENERATING THE BIOLOGICAL MOLECULE(S). SIZE EXCLUSION CHROMATOGRAPHY DATA SUPPORTS THE ASSIGNMENT OF A DIMER AS A BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE.
解像度: 1.8→29.26 Å / Num. obs: 38245 / % possible obs: 92 % / 冗長度: 1.91 % / Rmerge(I) obs: 0.085 / Rsym value: 0.085 / Net I/σ(I): 7.38
反射 シェル
Rmerge(I) obs: 0.715 / Diffraction-ID: 1
解像度 (Å)
最高解像度 (Å)
冗長度 (%)
Mean I/σ(I) obs
Num. measured obs
Num. unique obs
Rsym value
% possible all
1.8-1.86
1.89
1.6
9495
5012
0.715
72.9
1.86-1.94
1.93
12617
6605
84.4
1.94-2.03
2.52
12392
6473
86.7
2.03-2.13
3.47
12060
6314
92.1
2.13-2.27
4.6
13913
7270
94.7
2.27-2.44
5.72
13136
6833
95.7
2.44-2.69
7.02
13794
7210
96.9
2.69-3.07
9.89
13476
7041
98.1
3.07-3.87
13.65
13968
7344
99.2
3.87
19.99
13906
7281
98.6
-
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
XSCALE
データスケーリング
PDB_EXTRACT
1.7
データ抽出
XDS
データ削減
SHARP
位相決定
精密化
構造決定の手法: 多波長異常分散 / 解像度: 1.8→29.26 Å / Cor.coef. Fo:Fc: 0.964 / Cor.coef. Fo:Fc free: 0.944 / SU B: 7.409 / SU ML: 0.113 / TLS residual ADP flag: LIKELY RESIDUAL / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.13 / ESU R Free: 0.128 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 ...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) TLS GROUPS WERE ASSIGNED WITH THE AID OF TLSMD.
Rfactor
反射数
%反射
Selection details
Rfree
0.231
1910
5 %
RANDOM
Rwork
0.186
-
-
-
obs
0.188
38187
99.35 %
-
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