CRYSTAL PACKING AND SIZE EXCLUSION CHROMATOGRAPHY COUPLED WITH STATIC LIGHT SCATTERING ANALYSES SUPPORT THE ASSIGNMENT OF A DIMER AS A SIGNIFICANT OLIGOMERIZATION STATE IN SOLUTION.
THIS CONSTRUCT (1-188) WAS EXPRESSED WITH THE PURIFICATION TAG MGSDKIHHHHHHENLYFQG. THE TAG WAS ...THIS CONSTRUCT (1-188) WAS EXPRESSED WITH THE PURIFICATION TAG MGSDKIHHHHHHENLYFQG. THE TAG WAS REMOVED WITH TEV PROTEASE LEAVING ONLY A GLYCINE (0) FOLLOWED BY THE TARGET SEQUENCE.
モノクロメーター: Double crystal monochromator / プロトコル: SINGLE WAVELENGTH / 単色(M)・ラウエ(L): M / 散乱光タイプ: x-ray
放射波長
波長: 0.97911 Å / 相対比: 1
反射
解像度: 2.2→29.672 Å / Num. obs: 20101 / % possible obs: 98.8 % / Observed criterion σ(I): -3 / Biso Wilson estimate: 42.65 Å2 / Rmerge(I) obs: 0.059 / Net I/σ(I): 12.61
反射 シェル
解像度 (Å)
Rmerge(I) obs
Mean I/σ(I) obs
Num. measured obs
Num. unique obs
% possible all
2.2-2.28
0.681
1.8
11021
3579
93.1
2.28-2.37
0.505
2.5
11870
3705
99.8
2.37-2.48
0.381
3.3
12421
3868
99.6
2.48-2.61
0.27
4.6
12055
3748
99.6
2.61-2.77
0.194
6.1
11933
3712
99.8
2.77-2.98
0.135
8.6
11959
3712
99.9
2.98-3.28
0.081
13.2
12383
3834
99.7
3.28-3.76
0.046
21
12374
3822
99.5
3.76-4.72
0.029
30.6
12082
3743
99.5
4.72-29.672
0.03
33.7
12033
3780
97.8
-
位相決定
位相決定
手法: 単波長異常分散
-
解析
ソフトウェア
名称
バージョン
分類
NB
REFMAC
5.5.0110
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
3.006
データ抽出
XDS
データ削減
精密化
構造決定の手法: 単波長異常分散 / 解像度: 2.2→29.672 Å / Cor.coef. Fo:Fc: 0.95 / Cor.coef. Fo:Fc free: 0.932 / Occupancy max: 1 / Occupancy min: 0.15 / SU B: 10.926 / SU ML: 0.134 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.287 / ESU R Free: 0.211 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 SUM OF TLS AND RESIDUAL B FACTORS. ANISOU RECORDS CONTAIN SUM OF TLS AND RESIDUAL U FACTORS. 3. WATERS WERE ...詳細: 1. HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. 2. ATOM RECORDS CONTAIN SUM OF TLS AND RESIDUAL B FACTORS. ANISOU RECORDS CONTAIN SUM OF TLS AND RESIDUAL U FACTORS. 3. WATERS WERE EXCLUDED FROM AUTOMATIC TLS ASSIGNMENT. 4. 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. 5. RESIDUES 160-164 OF CHAIN A AND 155-163 OF CHAIN B WERE NOT MODELED DUE TO POOR ELECTRON DENSITY IN THOSE REGIONS. 6. SODIUM (NA) FROM THE PROTEIN BUFFER, AND GLYCEROL (GOL) AND POLYETHYLENE GLYCOL (PG4) FROM THE CRYSTALLIZATION/ CRYOPROTECTANT SOLUTIONS HAVE BEEN MODELED INTO THE SOLVENT STRUCTURE. 7. TLS GROUPS WERE ASSIGNED WITH THE AID OF THE TLSMD SERVER.
Rfactor
反射数
%反射
Selection details
Rfree
0.237
1021
5.1 %
RANDOM
Rwork
0.197
-
-
-
obs
0.199
20052
99.51 %
-
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: 1.4 Å / 溶媒モデル: MASK