8TRQ
T cell recognition of citrullinated vimentin 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 | 2019-07-27 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.95372 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 58.603, 76.616, 224.184 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.550 - 2.750 |
R-factor | 0.2183 |
Rwork | 0.216 |
R-free | 0.26370 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6v1a |
RMSD bond length | 0.009 |
RMSD bond angle | 1.017 |
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] | 46.550 | 2.900 |
High resolution limit [Å] | 2.750 | 2.750 |
Rmerge | 0.157 | 1.767 |
Number of reflections | 27166 | 3877 |
<I/σ(I)> | 12.4 | |
Completeness [%] | 100.0 | |
Redundancy | 13.4 | |
CC(1/2) | 0.998 | 0.732 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 20% w/v PEG3350, 0.2 M di-sodium malonate, 0.1 M Bis-Tris propane, pH 6.5, tri-glycine additive |