THE CONSTRUCT (40-250) WAS EXPRESSED WITH A PURIFICATION TAG MGSDKIHHHHHHENLYFQG. THE TAG WAS ...THE CONSTRUCT (40-250) 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: Double Crystal Si(111) / 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: 0.979122 Å / 相対比: 1
反射
解像度: 1.55→38.5 Å / Num. all: 62880 / Num. obs: 62880 / % possible obs: 99.9 % / 冗長度: 3.3 % / Biso Wilson estimate: 17.88 Å2 / Rsym value: 0.082 / Net I/σ(I): 8
反射 シェル
Diffraction-ID: 1
解像度 (Å)
冗長度 (%)
Rmerge(I) obs
Mean I/σ(I) obs
Num. measured all
Num. unique all
Rsym value
% possible all
1.55-1.63
3.3
0.553
2.2
30171
9124
0.553
100
1.63-1.73
3.3
0.367
3.1
28521
8625
0.367
100
1.73-1.85
3.3
0.222
4.6
26826
8095
0.222
100
1.85-2
3.3
0.136
6.9
25142
7597
0.136
100
2-2.19
3.3
0.094
9.3
23035
6970
0.094
100
2.19-2.45
3.3
0.081
10.8
20941
6335
0.081
99.9
2.45-2.83
3.3
0.078
12.1
18257
5596
0.078
99.8
2.83-3.47
3.2
0.067
14.5
14974
4727
0.067
99.9
3.47-4.9
3.1
0.056
16.4
11703
3723
0.056
99.9
4.9-38.519
3.4
0.06
16.3
7006
2088
0.06
99.3
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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
SCALA
3.3.20
データスケーリング
BUSTER-TNT
2.10.0
精密化
MOSFLM
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: 1.55→38.52 Å / Cor.coef. Fo:Fc: 0.9487 / Cor.coef. Fo:Fc free: 0.9383 / 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. ATOM RECORD CONTAINS SUM OF TLS AND RESIDUAL B FACTORS. ANISOU RECORD CONTAINS SUM OF TLS AND RESIDUAL U FACTORS. 3. NCS RESTRAINTS WERE APPLIED USING BUSTER'S LSSR RESTRAINT REPRESENTATION (-AUTONCS). 4. SO4 MOLECULES MODELED ARE PRESENT IN CRYSTALLIZATION CONDITIONS.