8ELG

Crystal Structure of HLA-B*15:01 in complex with spike derived peptide NQKLIANAF from OC43 virus

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	PIXEL
Collection date	2022-09-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.956
Spacegroup name	P 21 21 21
Unit cell lengths	50.926, 81.550, 110.533
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.200 - 1.650
R-factor	0.1846
Rwork	0.183
R-free	0.22040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5txs
Data reduction software	XDS
Data scaling software	Aimless (0.7.8)
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.300	46.300	1.670
High resolution limit [Å]	1.640	8.970	1.640
Rmerge	0.146	0.070	1.392
Rmeas	0.152	0.074	1.453
Rpim	0.041	0.022	0.408
Total number of observations	764420	4555	31333
Number of reflections	57587	425	2635
<I/σ(I)>	10.6	31.6	1.2
Completeness [%]	99.7	99.1	94.6
Redundancy	13.3	10.7	11.9
CC(1/2)	0.998	0.995	0.624

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	2% ethylene glycol, 20% w/v PEG3350