8P43

Structure of the MHC class Ib molecule Qa-1b in complex with Q001 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-05-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97625
Spacegroup name	P 21 21 21
Unit cell lengths	59.560, 72.797, 96.515
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.690 - 2.430
R-factor	0.1939
Rwork	0.191
R-free	0.24700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.986
Data reduction software	AutoProcess
Data scaling software	TRUNCATE
Phasing software	PHENIX
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.690	2.517
High resolution limit [Å]	2.430	2.430
Rmerge	0.034	0.255
Rmeas	0.048	0.360
Rpim	0.034	0.255
Number of reflections	16416	1605
<I/σ(I)>	13.23
Completeness [%]	99.9	99.88
Redundancy	2	2
CC(1/2)	0.999	0.895

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	8% PEG4000, 0.1M sodium acetate (pH 5.7) and 10 mM NiCl2