3GPQ
Crystal structure of macro domain of Chikungunya virus in complex with RNA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-06-22 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9330 |
| Spacegroup name | P 31 |
| Unit cell lengths | 86.824, 86.824, 81.316 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.420 - 2.000 |
| R-factor | 0.218 |
| Rwork | 0.215 |
| R-free | 0.26000 |
| Starting model (for MR) | 3gpg |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.398 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.25) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.421 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.052 | 0.525 |
| Total number of observations | 30275 | |
| Number of reflections | 46206 | |
| <I/σ(I)> | 0.9 | |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 4.6 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 293 | 46% PEG 600, 100 mM hepes, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | PEG 600 | ||
| 2 | 1 | 2 | PEG 600 | ||
| 3 | 1 | 2 | hepes |
