8UTC

HUMAN LEUKOCYTE ANTIGEN B*07:02 IN COMPLEX WITH SARS-COV2 EPITOPE N105-113 (Y111F mutant)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2023-03-02
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9794
Spacegroup name	P 21 21 21
Unit cell lengths	70.067, 84.737, 154.189
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.230 - 2.400
R-factor	0.18509
Rwork	0.183
R-free	0.24027
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7lg0
RMSD bond length	0.011
RMSD bond angle	1.697
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.230	2.440
High resolution limit [Å]	2.400	2.400
Rmerge	0.122	1.042
Rmeas	0.132
Rpim	0.050	0.472
Number of reflections	36717	1816
<I/σ(I)>	10.1	1.9
Completeness [%]	100.0	100
Redundancy	7.1	5.8
CC(1/2)	1.000	0.692

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	0.1 M HEPES-NaOH, pH 7.5, 25% PEG 3350