3M5M
Avoiding drug resistance against HCV NS3/4A protease inhibitors
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-BM-C |
Synchrotron site | APS |
Beamline | 14-BM-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-11-09 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 58.218, 60.093, 95.670 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.900 - 1.700 |
R-factor | 0.17841 |
Rwork | 0.177 |
R-free | 0.20565 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.251 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Number of reflections | 37615 | |
<I/σ(I)> | 10.2 | 4.782 |
Completeness [%] | 99.8 | 99.9 |
Redundancy | 7.4 | 7.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 100mM MES buffer pH 6.5, 4% (w/v) ammonium sulfate, 20-26% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 298K |