4U1K
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 | 46.270, 49.130, 107.460 |
Unit cell angles | 91.37, 93.57, 95.75 |
Refinement procedure
Resolution | 48.860 - 2.090 |
R-factor | 0.1783 |
Rwork | 0.176 |
R-free | 0.22630 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4i4w |
RMSD bond length | 0.017 |
RMSD bond angle | 1.857 |
Data reduction software | XDS (0.1.16) |
Data scaling software | Aimless (2.5.5) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.860 | 48.860 | 2.140 |
High resolution limit [Å] | 2.090 | 9.350 | 2.090 |
Rmerge | 0.098 | 0.049 | 0.358 |
Rpim | 0.087 | 0.040 | 0.317 |
Total number of observations | 107642 | 1286 | 8017 |
Number of reflections | 54249 | ||
<I/σ(I)> | 4.8 | 9.5 | 2 |
Completeness [%] | 97.5 | 97.4 | 95.7 |
Redundancy | 2 | 2.1 | 2 |
CC(1/2) | 0.983 | 0.993 | 0.822 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | 0.1 M Sodium Cacodylate, pH 6, 15% PEG 8000, 15% Glycerol |