1S9V

Crystal structure of HLA-DQ2 complexed with deamidated gliadin peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	200
Detector technology	CCD
Collection date	2002-11-15
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	91.110, 93.750, 102.720
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 * - 2.200 *
Rwork	0.221
R-free	0.28300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	26.200 *
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000 *
High resolution limit [Å]	2.200
Rmerge	0.092 *	0.351 *
Total number of observations	288797 *
Number of reflections	44458	1677 *
Completeness [%]	93.9 *	76.5 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8 *	300	sodium acetate, ammonium acetate, ammonium sulfate, ethylene glycol, PEG 3350, pH 3.5, VAPOR DIFFUSION, HANGING DROP, temperature 300K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	2-4 (mg/ml)
2	1	drop	Tris-HCl	25 (mM)	pH8.0
3	1	reservoir	sodium acetate	50 (mM)	pH3.5
4	1	reservoir	ammonium acetate	200 (mM)
5	1	reservoir	ammonium sulfate	40 (mM)
6	1	reservoir	ethylene gylcol	4 (%)
7	1	reservoir	PEG3350	26 (%)