AUTHORS STATE THAT SIZE EXCLUSION CHROMATOGRAPHY WITH STATIC LIGHT SCATTERING SUPPORTS THE ASSIGNMENT OF A TETRAMER AS A SIGNIFICANT OLIGOMERIZATION STATE.
THE CONSTRUCT WAS EXPRESSED WITH A PURIFICATION TAG MGSDKIHHHHHHENLYFQG. THE TAG WAS REMOVED WITH ...THE CONSTRUCT 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: 2.51 Å3/Da / 溶媒含有率: 51.05 %
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: 7.51 詳細: 32.5% 2-methyl-2,4-pentanediol, 0.1M TRIS pH 7.51, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K
解像度: 1.85→29.566 Å / Num. obs: 101930 / % possible obs: 98.5 % / Observed criterion σ(I): -3 / Biso Wilson estimate: 21.313 Å2 / Rmerge(I) obs: 0.079 / Net I/σ(I): 8.78
反射 シェル
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
1.85-1.92
0.674
1.4
38278
20067
96.5
1.92-1.99
0.539
1.8
34157
17836
99
1.99-2.08
0.374
2.5
37481
19500
99.1
2.08-2.19
0.276
3.4
37966
19741
99.2
2.19-2.33
0.208
4.6
38524
19993
99.1
2.33-2.51
0.151
6
37986
19638
99.2
2.51-2.76
0.113
7.8
37738
19477
99.3
2.76-3.16
0.071
11.6
38190
19646
99.2
3.16-3.98
0.036
20
38129
19399
98
3.98
0.024
28.9
38240
19078
96.1
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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
REFMAC
5.4.0069
精密化
PHENIX
精密化
SHELX
位相決定
MolProbity
3beta29
モデル構築
XSCALE
データスケーリング
PDB_EXTRACT
3.004
データ抽出
XDS
データ削減
SHELXD
位相決定
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: 1.85→29.566 Å / Cor.coef. Fo:Fc: 0.966 / Cor.coef. Fo:Fc free: 0.952 / SU B: 2.746 / SU ML: 0.083 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.122 / ESU R Free: 0.115 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). ETHYLENE GLYCOL (EDO) MOLECULES FROM CRYO SOLUTION WERE MODELED.
Rfactor
反射数
%反射
Selection details
Rfree
0.196
5094
5 %
RANDOM
Rwork
0.162
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-
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obs
0.164
101886
99.48 %
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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