8GM8

Crystal structure of shark nonclassical MHC CLASS I, UFA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-09-26
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97918
Spacegroup name	P 1
Unit cell lengths	59.065, 89.865, 90.080
Unit cell angles	63.57, 78.25, 80.35

Refinement procedure

Resolution	79.800 - 2.830
R-factor	0.2306
Rwork	0.229
R-free	0.27400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.546
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1-4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	79.800	2.960
High resolution limit [Å]	2.830	2.830
Rmerge	0.055	1.036
Number of reflections	36200	4278
<I/σ(I)>	12	0.9
Completeness [%]	94.0	90.9
Redundancy	3.7	3.7
CC(1/2)	0.999	0.674

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	16% w/v PEG 4000, 0.1 M Tris pH 8.5, and 0.2 M lithium sulfate