27EV

Human Leucocyte Antigen HLA-A2 with bound BHA(543-551) peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-06-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.953700
Spacegroup name	P 21 21 21
Unit cell lengths	59.741, 79.580, 111.320
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.900 - 1.860
R-factor	0.1876
Rwork	0.186
R-free	0.22740
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.886
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.780	1.900
High resolution limit [Å]	1.860	1.860
Rpim	0.042	0.309
Number of reflections	45104	2593
<I/σ(I)>	13.4
Completeness [%]	99.7
Redundancy	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	HEPES, PEG 3350, MgCl2, CdCl2