4U1S
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 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-12-03 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.170, 81.250, 110.770 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.620 - 1.760 |
| R-factor | 0.1766 |
| Rwork | 0.175 |
| R-free | 0.20670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4i4w |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.961 |
| Data reduction software | XDS (3.3.20) |
| Data scaling software | SCALA (2.1.4) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.625 | 40.625 | 1.810 |
| High resolution limit [Å] | 1.760 | 7.870 | 1.760 |
| Rmerge | 0.044 | 1.014 | |
| Rmeas | 0.109 | ||
| Rpim | 0.038 | 0.019 | 0.396 |
| Total number of observations | 370026 | 4224 | 27217 |
| Number of reflections | 46617 | ||
| <I/σ(I)> | 16.1 | 35.8 | 3.1 |
| Completeness [%] | 100.0 | 99 | 100 |
| Redundancy | 7.9 | 6.9 | 8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 291 | 0.2 M Lithium Chloride, pH 8, 20% PEG 6000 |
