4QRU

Crystal Structure of HLA B*0801 in complex with ELR_MYM, ELRRKMMYM

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)	0.954
Spacegroup name	P 21 21 21
Unit cell lengths	50.990, 81.180, 109.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.921 - 1.600
R-factor	0.1787
Rwork	0.177
R-free	0.20150
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.127
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall
Low resolution limit [Å]	27.921
High resolution limit [Å]	1.600
Number of reflections	56374
Completeness [%]	92.8
Redundancy	6.6

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