1UVQ

Crystal structure of HLA-DQ0602 in complex with a hypocretin peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Spacegroup name	P 21 21 2
Unit cell lengths	102.078, 129.304, 40.619
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 * - 1.800
R-factor	0.189
Rwork	0.189
R-free	0.20500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	25.500 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	EPMR
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.850
High resolution limit [Å]	1.800	1.800
Rmerge	0.050	0.296 *
Number of reflections	49489
<I/σ(I)>	15.9	3.6
Completeness [%]	97.3	78.7
Redundancy	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	3.5 *		pH 3.80

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Tris-HCl	10 (mM)
2	1	drop	protein	7 (mg/ml)
3	1	reservoir	glycine	100 (mM)	pH3.5
4	1	reservoir	PEG8000	16 (%(w/v))
5	1	reservoir	magnesium acetate	100 (mM)