4QRT

Crystal Structure of HLA B*0801 in complex with ELN_YYM, ELNRKMIYM

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	2011-03-31
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.954
Spacegroup name	P 21 21 21
Unit cell lengths	50.540, 81.580, 111.710
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.822 - 1.400
R-factor	0.1806
Rwork	0.179
R-free	0.20430
Structure solution method	MOLECULAR REPLACEMENT
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall
Low resolution limit [Å]	111.500
High resolution limit [Å]	1.300
Number of reflections	111044
Completeness [%]	97.6
Redundancy	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	277	0.2M ammonium acetate, 16% PEG 4K, 0.1 tri-Na citrate, pH 5.6, vapor diffusion, hanging drop, temperature 277K