4I5B

Structure of human MHC class II protein HLA-DR1 carrying an influenza hemagglutinin peptide partially filling the binding groove

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2011-06-11
Detector	MAR scanner 300 mm plate
Wavelength(s)	1.0332
Spacegroup name	C 2 2 21
Unit cell lengths	95.811, 111.381, 211.544
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.278 - 2.120
R-factor	0.2009
Rwork	0.199
R-free	0.23680
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.144
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	49.290	2.150
High resolution limit [Å]	2.120	5.850	2.120
Number of reflections	58717
Completeness [%]	91.4	98	70

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.3	293	100 mM sodium acetate, 9% PEG 10000, pH 4.3, VAPOR DIFFUSION, HANGING DROP, temperature 293K