4QRS

Crystal Structure of HLA B*0801 in complex with ELK_IYM, ELKRKMIYM

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	2011-03-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.954
Spacegroup name	P 21 21 21
Unit cell lengths	50.730, 81.290, 111.220
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.761 - 1.400
R-factor	0.1944
Rwork	0.193
R-free	0.21590
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.019
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000		1.500
High resolution limit [Å]	1.400	10.000	1.400
Rmerge	0.058	0.040	0.496
Number of reflections	90760
<I/σ(I)>	17.36	33.16	3.35
Completeness [%]	99.5	69.3	98.2

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