7MKB

Human leukocyte antigen A*0201 in complex with SARS-CoV-2 epitope YLQPRTFLL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-04-09
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	0.9794
Spacegroup name	P 21 21 21
Unit cell lengths	64.691, 78.491, 92.491
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.970 - 1.900
R-factor	0.1655
Rwork	0.164
R-free	0.20860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7lg2
RMSD bond length	0.009
RMSD bond angle	1.573
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.970	1.940
High resolution limit [Å]	1.900	1.900
Rmerge	0.130	0.730
Number of reflections	37735	2342
<I/σ(I)>	7.5	2.2
Completeness [%]	99.7	97.8
Redundancy	5.4	4.8
CC(1/2)		0.700

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	290	17% PEG10000, 0.1 M Bis-Tris, pH 5.5, 0.1 M ammonium acetate