THE CONSTRUCT (RESIDUES 22-540) WAS EXPRESSED WITH A PURIFICATION TAG MGSDKIHHHHHHENLYFQG. THE TAG ...THE CONSTRUCT (RESIDUES 22-540) WAS EXPRESSED WITH A 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: single crystal Si(111) bent / 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: 0.97868 Å / 相対比: 1
反射
解像度: 2.25→49.097 Å / Num. obs: 73074 / % possible obs: 98.3 % / Observed criterion σ(I): -3 / Biso Wilson estimate: 38.562 Å2 / Rmerge(I) obs: 0.106 / Net I/σ(I): 8.81
反射 シェル
Diffraction-ID: 1
解像度 (Å)
最高解像度 (Å)
Rmerge(I) obs
Mean I/σ(I) obs
Num. measured obs
Num. unique obs
% possible all
2.25-2.39
0.607
2
44183
11977
98.7
2.39-2.49
0.456
2.8
27373
7083
99.6
2.49-2.6
0.341
3.7
24984
6563
99.4
2.6-2.74
0.262
4.6
25464
6872
99.1
2.74-2.91
0.2
5.9
24241
6617
97.7
2.91-3.13
0.146
8.1
25829
6659
99.3
3.13-3.45
0.092
11.9
26278
6897
98.7
3.45-3.94
0.065
15.7
24257
6621
97.1
3.94-4.95
0.054
19.1
25735
6778
98
4.95
0.058
19.3
25032
6977
95.1
-
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
MolProbity
3beta29
モデル構築
PDB_EXTRACT
3.1
データ抽出
SHELX
位相決定
SHARP
位相決定
XSCALE
December29, 2011
データスケーリング
BUSTER-TNT
2.10.0
精密化
XDS
データ削減
SHELXD
位相決定
BUSTER
2.10.0
精密化
精密化
構造決定の手法: 単波長異常分散 / 解像度: 2.25→49.097 Å / Cor.coef. Fo:Fc: 0.9587 / Cor.coef. Fo:Fc free: 0.9456 / Occupancy max: 1 / Occupancy min: 0.5 / 交差検証法: THROUGHOUT / σ(F): 0 詳細: 1. 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 ...詳細: 1. 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. 2. ATOM RECORD CONTAINS SUM OF TLS AND RESIDUAL B FACTORS. ANISOU RECORD CONTAINS SUM OF TLS AND RESIDUAL U FACTORS. 3. THE MAD PHASES WERE USED AS RESTRAINTS DURING REFINEMENT. 4. NCS RESTRAINTS WERE APPLIED USING BUSTER'S LSSR RESTRAINT REPRESENTATION (-AUTONCS). 5. CALCIUM, CHLORIDE IONS, ACETATE, AND GLYCEROL MODELED WAS PRESENT IN THE CRYSTALLIZATION/CRYO CONDITIONS.