7P3D

MHC I A02 Allele presenting YLQPRTFLL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-28
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.91808
Spacegroup name	P 1 21 1
Unit cell lengths	56.629, 79.416, 57.892
Unit cell angles	90.00, 116.44, 90.00

Refinement procedure

Resolution	51.890 - 1.670
R-factor	0.1908
Rwork	0.189
R-free	0.23060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4i4w
RMSD bond length	0.012
RMSD bond angle	1.586
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	79.390	1.700
High resolution limit [Å]	1.670	1.670
Rmerge	0.162	1.419
Rmeas	0.188	1.656
Rpim	0.095	0.839
Number of reflections	53176	2648
<I/σ(I)>	9.5	0.9
Completeness [%]	99.9	100
Redundancy	3.9	3.9
CC(1/2)	0.990	0.364

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M sodium nitrate, 0.1 M Bis Tris propane pH 7.5, and 20 % w/v PEG 3350