3VRI
HLA-B*57:01-RVAQLENVYI in complex with abacavir
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-10-05 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9436 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 64.279, 49.061, 71.027 |
| Unit cell angles | 90.00, 99.39, 90.00 |
Refinement procedure
| Resolution | 40.190 - 1.600 |
| R-factor | 0.187 |
| Rwork | 0.185 |
| R-free | 0.21810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2rfx |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.148 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.7.2_869)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.000 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.065 | 0.469 |
| Number of reflections | 57626 | |
| <I/σ(I)> | 13.5 | 3.4 |
| Completeness [%] | 99.6 | 99.6 |
| Redundancy | 3.9 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.25 | 293 | 28% PEG 8000, 0.2M ammonium sulfate, 0.1M cacodylate, pH 6.25, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
