3VFN

crystal structure of HLA B*3508LPEP151A, HLA mutant Ala151

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	2010-12-07
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9536
Spacegroup name	P 21 21 21
Unit cell lengths	50.445, 80.632, 109.075
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.433 - 1.500
R-factor	0.1835
Rwork	0.182
R-free	0.21080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1zhk
RMSD bond length	0.008
RMSD bond angle	1.172
Data scaling software	SCALA (3.3.15)
Phasing software	PHASER
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	64.839	19.433	1.580
High resolution limit [Å]	1.500	4.740	1.500
Rmerge		0.034	0.389
Total number of observations		16578	75294
Number of reflections	72028
<I/σ(I)>	18.9	16.6	2
Completeness [%]	100.0	98.5	100
Redundancy	7.3	6.8	7.2

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