THE CONSTRUCT (RESIDUES 27-389) WAS EXPRESSED WITH A PURIFICATION TAG MGSDKIHHHHHHENLYFQG. THE TAG ...THE CONSTRUCT (RESIDUES 27-389) WAS EXPRESSED WITH A PURIFICATION TAG MGSDKIHHHHHHENLYFQG. THE TAG WAS REMOVED WITH TEV PROTEASE LEAVING ONLY A GLYCINE (0) FOLLOWED BY THE TARGET SEQUENCE.
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実験情報
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実験
実験
手法: X線回折 / 使用した結晶の数: 1
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試料調製
結晶
マシュー密度: 2.22 Å3/Da / 溶媒含有率: 44.7 %
結晶化
温度: 277 K / 手法: 蒸気拡散法, シッティングドロップ法 / pH: 8.5 詳細: 0.2M MgCl2, 30.0% PEG-4000, 0.1M TRIS pH 8.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K
解像度: 2.15→45.602 Å / Num. obs: 19285 / % possible obs: 99.7 % / Observed criterion σ(I): -3 / Biso Wilson estimate: 37.316 Å2 / Rmerge(I) obs: 0.064 / Net I/σ(I): 11.99
反射 シェル
解像度 (Å)
Rmerge(I) obs
Mean I/σ(I) obs
Num. measured obs
Num. unique obs
Diffraction-ID
% possible all
2.15-2.23
0.619
2
6975
1976
1
99.9
2.23-2.32
0.442
2.8
6743
1891
1
99.9
2.32-2.42
0.329
3.7
6439
1802
1
99.8
2.42-2.55
0.259
4.6
6982
1949
1
99.8
2.55-2.71
0.182
6.4
6759
1894
1
99.9
2.71-2.92
0.118
9.5
6838
1909
1
99.9
2.92-3.21
0.077
13.8
6763
1900
1
99.8
3.21-3.67
0.049
20.6
6763
1938
1
99.9
3.67-4.61
0.035
26.3
6618
1932
1
99.4
4.61-45.602
0.03
28.5
6897
2062
1
98.7
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位相決定
位相決定
手法: 多波長異常分散
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解析
ソフトウェア
名称
バージョン
分類
NB
SHELX
位相決定
BUSTER-TNT
BUSTER2.8.0
精密化
XSCALE
dataprocessing
PDB_EXTRACT
3.1
データ抽出
XDS
データ削減
XSCALE
データスケーリング
SHELXD
位相決定
autoSHARP
位相決定
BUSTER
2.8.0
精密化
精密化
構造決定の手法: 多波長異常分散 / 解像度: 2.15→45.602 Å / Cor.coef. Fo:Fc: 0.953 / Cor.coef. Fo:Fc free: 0.9279 / 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. WATERS WERE EXCLUDED FROM AUTOMATIC TLS ASSIGNMENT. 4. THE FOLLOWING REGION HAS POOR DENSITY: A319-327. REGION A28-65 IS DISORDERED.