4PDW
A benzonitrile analogue inhibits rhinovirus replication
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2013-04-27 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.972 |
| Spacegroup name | P 21 3 |
| Unit cell lengths | 439.411, 439.411, 439.411 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.750 - 3.000 |
| Rwork | 0.200 |
| R-free | 0.20000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hrv |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.750 | 3.160 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.203 | 0.687 |
| Number of reflections | 553702 | |
| <I/σ(I)> | 6.4 | 2.3 |
| Completeness [%] | 99.4 | 99.5 |
| Redundancy | 4.1 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.2 | 293.15 | PEG 8000, calcium chloride |
