REMARK 300 BIOMOLECULE: 1,2 THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT WHICH CONSISTS ...REMARK 300 BIOMOLECULE: 1,2 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 MONOMER AS A BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE.
Remark 999
SEQUENCE A suitable database reference was not available at the time of processing.
解像度: 1.897→29.988 Å / Num. obs: 51412 / % possible obs: 100 % / 冗長度: 4.8 % / Rmerge(I) obs: 0.074 / Rsym value: 0.074 / Net I/σ(I): 6.9
反射 シェル
Diffraction-ID: 1
解像度 (Å)
冗長度 (%)
Rmerge(I) obs
Mean I/σ(I) obs
Num. measured all
Num. unique all
Rsym value
% possible all
1.9-1.95
3.7
0.653
1
13790
3744
0.653
100
1.95-2
3.7
0.495
1.4
13483
3653
0.495
100
2-2.06
3.7
0.387
1.9
13114
3552
0.387
100
2.06-2.12
3.7
0.31
2.1
12717
3447
0.31
100
2.12-2.19
3.7
0.245
2.9
12562
3391
0.245
100
2.19-2.27
3.7
0.2
3.6
11886
3220
0.2
100
2.27-2.36
3.7
0.173
4.3
11632
3144
0.173
100
2.36-2.45
3.7
0.139
5.2
11223
3027
0.139
100
2.45-2.56
3.7
0.117
6.3
10840
2930
0.117
100
2.56-2.69
3.7
0.097
7.6
10205
2768
0.097
100
2.69-2.83
3.7
0.079
9
9840
2663
0.079
100
2.83-3
4.9
0.097
6.5
12359
2514
0.097
100
3-3.21
7.8
0.1
6.6
18390
2363
0.1
100
3.21-3.47
7.8
0.079
8.1
17250
2225
0.079
100
3.47-3.8
7.7
0.063
9.7
15749
2036
0.063
100
3.8-4.25
7.7
0.053
12.1
14441
1883
0.053
100
4.25-4.91
7.6
0.053
11.5
12581
1652
0.053
100
4.91-6.01
7.5
0.06
9.1
10679
1424
0.06
100
6.01-8.5
7.3
0.055
10.2
8281
1127
0.055
99.9
8.5-29.99
6.8
0.05
9.7
4406
649
0.05
97.6
-
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
MolProbity
3beta29
モデル構築
SHELX
位相決定
REFMAC
5.2.0019
精密化
SCALA
データスケーリング
PDB_EXTRACT
2
データ抽出
MOSFLM
データ削減
CCP4
(SCALA)
データスケーリング
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: 1.9→29.988 Å / Cor.coef. Fo:Fc: 0.963 / Cor.coef. Fo:Fc free: 0.953 / SU B: 5.066 / SU ML: 0.076 / TLS residual ADP flag: LIKELY RESIDUAL / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.113 / ESU R Free: 0.112 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). THERE ARE UNKNOWN DENSITY NEAR ACTIVE SITE IN A AND B CHAINS. THEY ARE NAMED AS UNL. (4). THERE ARE UNKNOWN DENSITY NEAR PHE 75 IN A AND B MOLECULES, TYR 77 AND PHE 138 IN A MOLECULE, PRO 152 AND TYR 200 IN B MOLECULE. THEY ARE ALL IN THE SOLVENT REGION AND LEFT UNMODELED. (5). ATOM RECORDS CONTAIN RESIDUAL B FACTORS ONLY.
Rfactor
反射数
%反射
Selection details
Rfree
0.205
2613
5.1 %
RANDOM
Rwork
0.169
-
-
-
obs
0.171
51362
99.75 %
-
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