2NNA

Structure of the MHC class II molecule HLA-DQ8 bound with a deamidated gluten peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2004-09-29
Detector	RIGAKU RAXIS
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	58.830, 92.520, 113.060
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.640 - 2.100
Rwork	0.217
R-free	0.24780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jk8 with the insulin peptide removed
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.640	2.180
High resolution limit [Å]	2.100	2.100
Number of reflections	36603

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.05M mono-Pottasium dihydrogen phosphate, 19%(w/v) PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 298K