8V8Q

HUMAN LEUKOCYTE ANTIGEN B*07:02 IN COMPLEX WITH MERS-COV EPITOPE N95-103 (A95S mutant)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97934
Spacegroup name	C 2 2 21
Unit cell lengths	69.858, 153.872, 87.572
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.920 - 1.850
R-factor	0.17088
Rwork	0.170
R-free	0.20956
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7lg0
RMSD bond length	0.010
RMSD bond angle	1.580
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.190	1.890
High resolution limit [Å]	1.850	1.850
Rmerge	0.093	0.784
Rmeas	0.101	0.846
Rpim	0.039	0.316
Number of reflections	40656	2482
<I/σ(I)>	11.9	2.3
Completeness [%]	100.0	100
Redundancy	6.8	7.1
CC(1/2)	0.998	0.847

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