5NIG
Crystal structure of HLA-DRB1*04:01 with modified alpha-enolase peptide 326-340 (arginine 327 to citrulline)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-05-13 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.966 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 68.606, 128.319, 53.521 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.860 - 1.350 |
| R-factor | 0.14281 |
| Rwork | 0.142 |
| R-free | 0.18080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ni9 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.550 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 46.860 |
| High resolution limit [Å] | 1.350 |
| Number of reflections | 103630 |
| <I/σ(I)> | 9.9 |
| Completeness [%] | 98.9 |
| Redundancy | 4.4 |
| CC(1/2) | 0.996 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.1 M MES pH 6.5 10% (vol/vol) MPD 15% (vol/vol) PEG 3350 |
