5CZB
HCV NS5B IN COMPLEX WITH LIGAND IDX17119-5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-04-12 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97244 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 105.356, 108.234, 134.758 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 84.390 - 1.960 |
| R-factor | 0.18906 |
| Rwork | 0.188 |
| R-free | 0.23398 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | in-house model |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.479 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 84.390 | 2.030 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rmerge | 0.069 | 0.615 |
| Number of reflections | 108468 | |
| <I/σ(I)> | 15.63 | |
| Completeness [%] | 97.8 | 95.6 |
| Redundancy | 4.2 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 297 | NULL |
