THE CONSTRUCT (26-186) WAS EXPRESSED WITH A PURIFICATION TAG MGSDKIHHHHHHENLYFQG. THE TAG WAS ...THE CONSTRUCT (26-186) 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: 0.97923 Å / 相対比: 1
反射
解像度: 1.9→49.453 Å / Num. obs: 18773 / % possible obs: 99.7 % / Observed criterion σ(I): -3 / 冗長度: 6.253 % / Biso Wilson estimate: 32.52 Å2 / Rmerge F obs: 0.999 / Rmerge(I) obs: 0.065 / Rrim(I) all: 0.071 / Net I/σ(I): 15.17 / Num. measured all: 117394
反射 シェル
解像度 (Å)
Rmerge F obs
Rmerge(I) obs
Mean I/σ(I) obs
Num. measured obs
Num. possible
Num. unique obs
Rrim(I) all
Diffraction-ID
% possible all
1.9-1.97
0.689
0.615
1.7
6442
1945
1909
0.73
1
98.1
1.97-2.05
0.894
0.492
3.3
11871
1876
1874
0.536
99.9
2.05-2.14
0.945
0.341
4.9
12021
1797
1793
0.37
99.8
2.14-2.25
0.978
0.227
7.2
12659
1830
1830
0.245
100
2.25-2.39
0.985
0.167
9.6
12579
1877
1877
0.181
100
2.39-2.58
0.99
0.132
11.9
12376
1913
1913
0.143
100
2.58-2.84
0.995
0.095
17.3
13042
1884
1884
0.103
100
2.84-3.25
0.997
0.062
24.7
11981
1875
1873
0.068
99.9
3.25-4.08
0.998
0.046
33.2
12297
1887
1883
0.05
99.8
4.08-49.453
0.999
0.04
36.8
12126
1943
1937
0.044
99.7
-
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
PDB_EXTRACT
3.1
データ抽出
XDS
November3, 2014BUILT=20141118
データスケーリング
XSCALE
データスケーリング
SHELX
位相決定
SHARP
位相決定
SHELXD
位相決定
BUSTER
2.10.2
精密化
精密化
構造決定の手法: 単波長異常分散 / 解像度: 1.9→49.453 Å / Cor.coef. Fo:Fc: 0.9618 / Cor.coef. Fo:Fc free: 0.9525 / Occupancy max: 1 / Occupancy min: 0.3 / 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. THE SAD PHASES WERE USED AS RESTRAINTS DURING REFINEMENT. 3. ATOM RECORDS CONTAIN SUM OF TLS AND RESIDUAL B FACTORS. ANISOU RECORDS CONTAIN SUM OF TLS AND RESIDUAL U FACTORS.