3VFO

crystal structure of HLA B*3508 LPEP157A, HLA mutant Ala157

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	2011-04-08
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9536
Spacegroup name	P 21 21 21
Unit cell lengths	50.990, 81.520, 110.980
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.413 - 1.700
R-factor	0.2476
Rwork	0.246
R-free	0.27880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1zhk
RMSD bond length	0.007
RMSD bond angle	1.047
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]		1.800
High resolution limit [Å]	1.700	1.700
Rmerge	0.058	0.252
Number of reflections	47342	7925
<I/σ(I)>	20.32	5.58
Completeness [%]	91.6	99.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	0.2M ammonium acetate, 16% PEG 4K, 0.1M sodium citrate pH5.6, vapor diffusion, hanging drop, temperature 293K