5TRH
CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS NS5B RNA-DEPENDENT RNA POLYMERASE IN COMPLEX WITH 2-[(benzenecarbonyl)amino]-3-[(4-chlorophenyl)methoxy]benzoic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-08-17 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 66.200, 91.700, 232.600 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.330 - 2.700 |
R-factor | 0.221 |
Rwork | 0.219 |
R-free | 0.24800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3QOZ |
RMSD bond length | 0.008 |
RMSD bond angle | 1.020 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | BUSTER-TNT (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.910 |
High resolution limit [Å] | 2.700 | 2.700 |
Number of reflections | 39755 | |
<I/σ(I)> | 10.6 | 3.8 |
Completeness [%] | 99.8 | 100 |
Redundancy | 4.9 | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 100 mM Sodium Citrate, 1.75 M (NH4)2SO4 |