ジャーナル: Biochemistry / 年: 2011 タイトル: Structural Characterization of Three Novel Hydroxamate-Based Zinc Chelating Inhibitors of the Clostridium botulinum Serotype A Neurotoxin Light Chain Metalloprotease Reveals a Compact ...タイトル: Structural Characterization of Three Novel Hydroxamate-Based Zinc Chelating Inhibitors of the Clostridium botulinum Serotype A Neurotoxin Light Chain Metalloprotease Reveals a Compact Binding Site Resulting from 60/70 Loop Flexibility. 著者: Thompson, A.A. / Jiao, G.S. / Kim, S. / Thai, A. / Cregar-Hernandez, L. / Margosiak, S.A. / Johnson, A.T. / Han, G.W. / O'Malley, S. / Stevens, R.C.
モノクロメーター: 1: Double Crystal 2: Double Multilayer 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: 1.044 Å / 相対比: 1
Reflection
冗長度: 3.8 % / Av σ(I) over netI: 13.9 / 数: 118707 / Rmerge(I) obs: 0.093 / Χ2: 1 / D res high: 2.4 Å / D res low: 50 Å / Num. obs: 31317 / % possible obs: 100
Diffraction reflection shell
最高解像度 (Å)
最低解像度 (Å)
% possible obs (%)
ID
Rmerge(I) obs
Chi squared
Redundancy
5.17
50
99.9
1
0.036
1
3.8
4.1
5.17
99.8
1
0.063
0.988
3.8
3.58
4.1
100
1
0.078
0.992
3.8
3.26
3.58
100
1
0.1
0.987
3.8
3.02
3.26
100
1
0.134
1.001
3.8
2.85
3.02
100
1
0.192
1.006
3.8
2.7
2.85
100
1
0.259
0.997
3.8
2.59
2.7
100
1
0.325
1.014
3.8
2.49
2.59
100
1
0.42
1.005
3.8
2.4
2.49
99.9
1
0.478
0.976
3.7
反射
解像度: 2.4→50 Å / Num. obs: 31317 / % possible obs: 100 % / 冗長度: 3.8 % / Rmerge(I) obs: 0.093 / Χ2: 0.997 / Net I/σ(I): 8.9