6VQY
HLA-B*27:05 presenting an HIV-1 7mer peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 105 |
Detector technology | PIXEL |
Collection date | 2012-02-17 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.350, 129.860, 90.264 |
Unit cell angles | 90.00, 104.38, 90.00 |
Refinement procedure
Resolution | 87.437 - 2.570 |
R-factor | 0.2155 |
Rwork | 0.211 |
R-free | 0.23850 |
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] | 87.437 | 87.437 | 2.710 |
High resolution limit [Å] | 2.570 | 8.130 | 2.570 |
Rmerge | 0.094 | 0.601 | |
Rmeas | 0.254 | 0.102 | 0.710 |
Rpim | 0.106 | 0.040 | 0.375 |
Total number of observations | 168840 | 7079 | 16375 |
Number of reflections | 32272 | 1061 | 4694 |
<I/σ(I)> | 5.6 | 9.8 | 2.2 |
Completeness [%] | 100.0 | 99.9 | 100 |
Redundancy | 5.2 | 6.7 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 30 %w/v Polyethylene Glycol Monomethyl Ether 5000, 0.2 M Ammonium Sulphate, 0.1 M MES pH 6.5 |