4PRA

Crystal structure of a HLA-B*35:01-HPVG-Q5

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	CCD
Collection date	2012-06-12
Detector	ADSC QUANTUM 210
Wavelength(s)	0.984
Spacegroup name	P 21 21 21
Unit cell lengths	50.730, 81.430, 109.580
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.458 - 1.850
Rwork	0.190
R-free	0.22480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fyy
RMSD bond length	0.008
RMSD bond angle	1.074
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		1.950
High resolution limit [Å]	1.850	10.000	1.850
Rmerge	0.076	0.025	0.427
Number of reflections	39526	293	5701
<I/σ(I)>	21.67	61.56	5.15
Completeness [%]	100.0	97	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.6	298	16% PEG 4000, 0.2M ammonium acetate and 0.1M Na-Citrate, pH 5.6, VAPOR DIFFUSION, temperature 298K