8TRL
T cell recognition of citrullinated alpha-enolase peptide presented by HLA-DR4
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-02-22 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9537 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 185.857, 58.546, 216.479 |
Unit cell angles | 90.00, 113.60, 90.00 |
Refinement procedure
Resolution | 45.870 - 2.400 |
R-factor | 0.2108 |
Rwork | 0.210 |
R-free | 0.23440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6v1a |
RMSD bond length | 0.003 |
RMSD bond angle | 0.595 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.870 | 2.440 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.074 | 0.875 |
Number of reflections | 84275 | 4524 |
<I/σ(I)> | 12.5 | |
Completeness [%] | 100.0 | |
Redundancy | 6.2 | |
CC(1/2) | 0.998 | 0.721 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 4-10% Tacsimate, 18-23% w/v PEG3350 |