3VFP

crystal structure of HLA B*3508 LPEP158G, HLA mutant Gly158

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	50.993, 81.505, 110.899
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.481 - 1.850
R-factor	0.2104
Rwork	0.207
R-free	0.26590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1zhk
RMSD bond length	0.007
RMSD bond angle	1.004
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	0.079	0.198
Number of reflections		3328
<I/σ(I)>	16.55	8.12
Completeness [%]	70.4	41.9

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