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 |