4XXC
HLA-B*1801 in complex with a self-peptide, DELEIKAY
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-10-01 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.660, 80.800, 108.980 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.170 - 1.426 |
| R-factor | 0.2056 |
| Rwork | 0.204 |
| R-free | 0.23490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4jqv |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.071 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.670 | 1.500 |
| High resolution limit [Å] | 1.426 | 1.430 |
| Rmerge | 0.047 | 0.283 |
| Number of reflections | 80489 | |
| <I/σ(I)> | 7.7 | 2.2 |
| Completeness [%] | 95.8 | 91.7 |
| Redundancy | 6.1 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 5.6 | 273 | 14-20% PEG 4K, 0.2 M NH4Ac |
