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 |