6VQZ
HLA-B*27:05 presenting an HIV-1 6mer 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) | 1.000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.495, 130.516, 90.170 |
Unit cell angles | 90.00, 104.41, 90.00 |
Refinement procedure
Resolution | 87.333 - 2.250 |
R-factor | 0.2037 |
Rwork | 0.201 |
R-free | 0.24370 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1w0v |
RMSD bond length | 0.004 |
RMSD bond angle | 0.786 |
Data reduction software | xia2 |
Data scaling software | SCALA (3.3.22) |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 130.490 | 130.490 | 2.370 |
High resolution limit [Å] | 2.250 | 7.120 | 2.250 |
Rmerge | 0.090 | 0.029 | 0.409 |
Number of reflections | 47317 | 1558 | 6830 |
<I/σ(I)> | 6.7 | 13.7 | 2.3 |
Completeness [%] | 98.1 | 98.6 | 97.1 |
Redundancy | 2.5 | 2.5 | 2.6 |
CC(1/2) | 0.992 | 0.998 | 0.843 |
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 |