3VRJ
HLA-B*57:01-LTTKLTNTNI 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 | 2011-11-05 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9436 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 64.291, 49.005, 70.875 |
| Unit cell angles | 90.00, 99.53, 90.00 |
Refinement procedure
| Resolution | 43.511 - 1.900 |
| R-factor | 0.1767 |
| Rwork | 0.175 |
| R-free | 0.21260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2rfx |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.143 |
| 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] | 70.000 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.113 | 0.430 |
| Number of reflections | 34469 | |
| <I/σ(I)> | 13.6 | 5.2 |
| Completeness [%] | 99.6 | 99.9 |
| Redundancy | 5.6 | 5.7 |
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 |
