3UPR
HLA-B*57:01 complexed to pep-V and Abacavir
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X6A |
| Synchrotron site | NSLS |
| Beamline | X6A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-10-15 |
| Detector | ADSC QUANTUM 210 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.751, 131.412, 88.340 |
| Unit cell angles | 90.00, 104.30, 90.00 |
Refinement procedure
| Resolution | 28.534 - 1.999 |
| R-factor | 0.1894 |
| Rwork | 0.187 |
| R-free | 0.22780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2rfx |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.795 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.7.2_869)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.000 | 2.030 |
| High resolution limit [Å] | 1.900 | 2.000 |
| Number of reflections | 64925 | |
| <I/σ(I)> | 22.84 | 2.2 |
| Completeness [%] | 95.0 | 77 |
| Redundancy | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 289 | 0.1M NaCacodylate, 0.1MNaAcetate, 25%PEG 8,000, 15% Glycerol, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
