7KEI

DQA1*01:02/DQB1*06:02 in complex with a hemagglutinin peptide from the H1N1 pandemic flu virus.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2016-02-01
Detector	RAYONIX MX300HE
Wavelength(s)	0.97931
Spacegroup name	P 1 21 1
Unit cell lengths	59.310, 58.255, 67.507
Unit cell angles	90.00, 96.08, 90.00

Refinement procedure

Resolution	27.930 - 1.750
R-factor	0.2047
Rwork	0.203
R-free	0.23330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1uvq
RMSD bond length	0.013
RMSD bond angle	0.940
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.18_3845)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.930	1.813
High resolution limit [Å]	1.750	1.750
Rmerge	0.083
Number of reflections	46303	4600
<I/σ(I)>	8.41
Completeness [%]	99.4
Redundancy	3.7
CC(1/2)		0.924

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	35% PEG MME 550, 0.2M MgCl2, 0.1M MES pH 6.5.