4GMC
Crystal structure of HCV NS5B polymerase in complex with a thumb inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2002-10-01 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 104.240, 106.260, 133.330 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.700 |
Rwork | 0.219 |
R-free | 0.25660 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3mwv |
RMSD bond length | 0.007 |
RMSD bond angle | 1.426 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.800 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.092 | 0.560 |
Number of reflections | 41572 | |
<I/σ(I)> | 13.94 | 2.5 |
Completeness [%] | 100.0 | 100 |
Redundancy | 4.17 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 284 | 100 mM MES, 21% PEG5000 MME, 400 mM ammonium sulfate, 10% glycerol, pH 5.4, VAPOR DIFFUSION, HANGING DROP, temperature 284K |