4PRN

Crystal structure of a HLA-B*35:01-HPVG-A4

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	CCD
Collection date	2012-06-12
Detector	ADSC QUANTUM 210
Wavelength(s)	0.984
Spacegroup name	P 21 21 21
Unit cell lengths	50.640, 81.230, 109.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.192 - 1.650
R-factor	0.1863
Rwork	0.184
R-free	0.22170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fyy
RMSD bond length	0.012
RMSD bond angle	1.234
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		1.750
High resolution limit [Å]	1.650	10.000	1.650
Rmerge	0.058	0.025	0.405
Number of reflections	55695	294	8882
<I/σ(I)>	20.76	45.83	4.53
Completeness [%]	100.0	97.4	100

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