3GPO
Crystal structure of macro domain of Chikungunya virus in complex with ADP-ribose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-12-13 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.8856 |
| Spacegroup name | P 31 |
| Unit cell lengths | 87.957, 87.957, 84.175 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.400 - 1.900 |
| R-factor | 0.171 |
| Rwork | 0.170 |
| R-free | 0.20100 |
| Starting model (for MR) | 3gpg |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.447 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.25) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.000 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.072 | 0.554 |
| Total number of observations | 38681 | |
| Number of reflections | 57403 | |
| <I/σ(I)> | 1.1 | |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 5.4 | 4.6 |
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 |
