7M8T

Crystal Structure of HLA-A*11:01 in complex with NSASFSTFK, an 9-mer epitope from SARS-CoV-2 spike (S370-378)

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	2020-05-06
Detector	DECTRIS PILATUS 12M
Wavelength(s)	0.98
Spacegroup name	P 1 21 1
Unit cell lengths	49.873, 38.451, 110.059
Unit cell angles	90.00, 94.63, 90.00

Refinement procedure

Resolution	38.410 - 1.500
R-factor	0.1894
Rwork	0.188
R-free	0.21860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5wjn
RMSD bond length	0.008
RMSD bond angle	0.950
Data scaling software	Aimless (0.5.1)
Refinement software	BUSTER

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.720	46.720	1.530
High resolution limit [Å]	1.500	8.220	1.500
Rmerge	0.071	0.036	1.058
Total number of observations	458019	2790	22980
Number of reflections	67146	453	3290
<I/σ(I)>	13.8	44.1	1.8
Completeness [%]	100.0	98.7	100
Redundancy	6.8	6.2	7
CC(1/2)	0.999	0.999	0.754

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	2M Ammonium Sulfate, 0.1M Calcium cacodylate pH 6.5, 0.2M sodium chloride