4U1M
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 I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-06-30 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.060, 81.340, 110.930 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 55.470 - 1.180 |
R-factor | 0.1631 |
Rwork | 0.162 |
R-free | 0.18020 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4i4w |
RMSD bond length | 0.024 |
RMSD bond angle | 2.438 |
Data reduction software | XDS (0.1.16) |
Data scaling software | Aimless (2.1.4) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 55.470 | 55.470 | 1.210 |
High resolution limit [Å] | 1.180 | 5.280 | 1.180 |
Rmerge | 0.053 | 0.034 | 0.721 |
Rpim | 0.022 | 0.014 | 0.294 |
Total number of observations | 1076025 | 12341 | 72735 |
Number of reflections | 150669 | ||
<I/σ(I)> | 17.5 | 45.7 | 3 |
Completeness [%] | 99.1 | 99.4 | 96 |
Redundancy | 7.1 | 6.5 | 6.8 |
CC(1/2) | 0.999 | 0.998 | 0.823 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | 10% PEG 6000, 10mM magnesium chloride |