8TRR
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 | 2019-10-06 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.95374 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 98.929, 59.970, 379.159 |
Unit cell angles | 90.00, 90.16, 90.00 |
Refinement procedure
Resolution | 47.890 - 2.650 |
R-factor | 0.2103 |
Rwork | 0.209 |
R-free | 0.24410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6v1a |
RMSD bond length | 0.009 |
RMSD bond angle | 0.965 |
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] | 49.520 | 2.720 |
High resolution limit [Å] | 2.650 | 2.650 |
Rmerge | 0.096 | 1.054 |
Number of reflections | 65371 | 4569 |
<I/σ(I)> | 11.9 | |
Completeness [%] | 100.0 | |
Redundancy | 7 | |
CC(1/2) | 0.998 | 0.806 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 20% w/v PEG8000, 0.1 M Tris, pH 8.5, 0.2 M ammonium sulfate |