4U1L
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 1 |
Unit cell lengths | 46.020, 49.060, 107.840 |
Unit cell angles | 91.13, 93.53, 95.70 |
Refinement procedure
Resolution | 53.800 - 2.060 |
R-factor | 0.1746 |
Rwork | 0.173 |
R-free | 0.20870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4i4w |
RMSD bond length | 0.017 |
RMSD bond angle | 1.848 |
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] | 53.800 | 53.800 | 2.110 |
High resolution limit [Å] | 2.060 | 9.210 | 2.060 |
Rmerge | 0.102 | 0.038 | 0.407 |
Rpim | 0.092 | 0.033 | 0.367 |
Total number of observations | 112351 | 1298 | 8241 |
Number of reflections | 56594 | ||
<I/σ(I)> | 5.8 | 12.5 | 2.3 |
Completeness [%] | 97.7 | 97.8 | 96.9 |
Redundancy | 2 | 2.1 | 2 |
CC(1/2) | 0.986 | 0.996 | 0.811 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | 0.1 M TRIS pH 8.0, 15% PEG 4000 and 15% glycerol |