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