5JLZ
Crystal structure of HLA-DRB1*04:01 in complex with modified alpha-enolase peptide 26-40 with citrulline at the position 32
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-02-06 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 69.442, 73.782, 145.482 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.760 - 1.990 |
| R-factor | 0.20753 |
| Rwork | 0.206 |
| R-free | 0.24313 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4mcy |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.612 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.760 | 2.050 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Number of reflections | 51357 | |
| <I/σ(I)> | 9.9 | 1.9 |
| Completeness [%] | 99.1 | 96.8 |
| Redundancy | 5.3 | 5.5 |
| CC(1/2) | 0.994 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4 | 293 | 0.1M sodium malonate, 15% PEG3350 |
