2BRL
Crystal structure of Hepatitis C virus polymerase in complex with an allosteric inhibitor (compound 2)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Collection date | 2003-07-17 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 68.303, 94.854, 96.230 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.400 |
R-factor | 0.193 |
Rwork | 0.189 |
R-free | 0.25500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1csj |
RMSD bond length | 0.015 |
RMSD bond angle | 1.496 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.530 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.080 | 0.320 |
Number of reflections | 25135 | |
<I/σ(I)> | 7 | 2.3 |
Completeness [%] | 100.0 | 100 |
Redundancy | 5.2 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6 | pH 6.00 |