6VQD
HLA-B*27:05 presenting an HIV-1 8mer peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 105 |
Detector technology | CCD |
Collection date | 2011-01-24 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.871, 82.709, 108.643 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.355 - 1.880 |
R-factor | 0.1738 |
Rwork | 0.172 |
R-free | 0.20590 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1w0v |
Data reduction software | xia2 |
Data scaling software | SCALA (3.3.22) |
Phasing software | PHASER |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 65.809 | 50.871 | 1.950 |
High resolution limit [Å] | 1.850 | 5.850 | 1.850 |
Rmerge | 0.043 | 0.894 | |
Rmeas | 0.133 | 0.045 | 0.927 |
Rpim | 0.035 | 0.012 | 0.243 |
Total number of observations | 569927 | 18549 | 83339 |
Number of reflections | 39989 | 1417 | 5758 |
<I/σ(I)> | 15.1 | 34.4 | 3 |
Completeness [%] | 100.0 | 99.9 | 100 |
Redundancy | 14.3 | 13.1 | 14.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.8 | 277 | 20 %w/v Polyethylene Glycol 3350, 0.2 M Potassium di-Hydrogen Phosphate |