3H59
Hepatitis C virus polymerase NS5B with thiazine inhibitor 2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-11-04 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 86.855, 106.417, 127.195 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.090 - 2.100 |
R-factor | 0.19535 |
Rwork | 0.193 |
R-free | 0.24571 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.012 |
RMSD bond angle | 1.338 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | REFMAC |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.180 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 65051 | |
<I/σ(I)> | 12.1 | 1.82 |
Completeness [%] | 93.7 | 87.7 |
Redundancy | 4.6 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.9 | 293 | 50 mM Na Citrate pH 4.9, 26% PEG 4000, 7.5% glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 293K |