4U1H
HLA class I micropolymorphisms determine peptide-HLA landscape and dictate differential HIV-1 escape through identical epitopes
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-03-16 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.920 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.000, 81.440, 110.060 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 55.030 - 1.590 |
R-factor | 0.1654 |
Rwork | 0.164 |
R-free | 0.19440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4i4w |
RMSD bond length | 0.020 |
RMSD bond angle | 1.961 |
Data reduction software | GDA |
Data scaling software | Aimless (0.1.27) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 55.030 | 55.030 | 1.630 |
High resolution limit [Å] | 1.590 | 7.110 | 1.590 |
Rmerge | 0.073 | 0.037 | 0.725 |
Rpim | 0.029 | 0.015 | 0.293 |
Total number of observations | 456801 | 5577 | 32099 |
Number of reflections | 62396 | ||
<I/σ(I)> | 16.5 | 44.5 | 3 |
Completeness [%] | 99.9 | 99.9 | 100 |
Redundancy | 7.3 | 6.8 | 7 |
CC(1/2) | 0.999 | 0.999 | 0.811 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 291 | 22% PEG 4000 and 0.2 M ammonium sulphate, 0.1M sodium acetate |