2WHO
CRYSTAL STRUCTURE OF HEPATITIS C VIRUS NS5B POLYMERASE FROM 1B GENOTYPE IN COMPLEX WITH A NON-NUCLEOSIDE INHIBITOR
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 67.210, 96.999, 193.762 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 95.350 - 2.000 |
R-factor | 0.21336 |
Rwork | 0.211 |
R-free | 0.26579 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1csj |
RMSD bond length | 0.016 |
RMSD bond angle | 1.509 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.040 | 0.340 |
Number of reflections | 60884 | |
<I/σ(I)> | 12.1 | 1.5 |
Completeness [%] | 74.3 | 63 |
Redundancy | 2 | 1.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6 | pH 6.0 |