7NUI
Crystal structure of HLA-B*08:01 in complex with ELRSRYWAI viral peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P13 (MX1) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-06-24 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.976 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 90.236, 40.206, 125.978 |
| Unit cell angles | 90.00, 101.53, 90.00 |
Refinement procedure
| Resolution | 44.540 - 2.000 |
| R-factor | 0.2322 |
| Rwork | 0.230 |
| R-free | 0.28230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5wmq |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.099 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.540 | 10.000 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.200 | 0.200 |
| Number of reflections | 30185 | 30184 |
| <I/σ(I)> | 30316 | |
| Completeness [%] | 99.3 | |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 289.15 | 0.2 M sodium iodide, 0.1 M Bis-Tris propane, 20 % w/v PEG 3350 |
