8EMK

Crystal structure of HLA-B*35:01-NP3 epitope from 1957 H2N2 influenza strain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2019-03-28
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.95370
Spacegroup name	P 21 21 21
Unit cell lengths	50.821, 81.523, 109.140
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.191 - 1.665
R-factor	0.179734865897
Rwork	0.178
R-free	0.20610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lks
RMSD bond length	0.014
RMSD bond angle	1.511
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.100	1.730
High resolution limit [Å]	1.660	1.670
Rmeas	0.035	0.294
Number of reflections	56575	5266
<I/σ(I)>	17.5	3.6
Completeness [%]	100.0
Redundancy	2
CC(1/2)	0.999	0.902

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		297	PEG, NA ACETATE