3VDD
Structure of HRV2 capsid complexed with antiviral compound BTA798
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-07-13 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.9999 |
| Spacegroup name | P 21 2 21 |
| Unit cell lengths | 310.490, 345.680, 378.390 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.942 - 3.200 |
| R-factor | 0.2317 |
| Rwork | 0.230 |
| R-free | 0.27270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fpn |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.970 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.3.0) |
| Refinement software | PHENIX (1.7_650) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 3.280 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.252 | |
| Number of reflections | 660217 | |
| <I/σ(I)> | 10.6 | 1.97 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 7 | 10 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 298 | 0.4-0.7 M ammonium sulfate, pH 7.5, HANGING DROP, temperature 298K |
