7Q9A

MHC Class I A02 Allele presenting LLLGIGILVL, in complex with Mel5 TCR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-03-02
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97951
Spacegroup name	P 43
Unit cell lengths	122.019, 122.019, 82.418
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	61.010 - 2.100
R-factor	0.2064
Rwork	0.204
R-free	0.24320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3hg1
RMSD bond length	0.010
RMSD bond angle	1.676
Data reduction software	XDS
Data scaling software	xia2
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.020	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.105	2.600
Rmeas	0.113	2.800
Rpim	0.040	0.989
Number of reflections	70731	3512
<I/σ(I)>	10.6
Completeness [%]	100.0	100
Redundancy	7.7	7.8
CC(1/2)	0.998	0.312

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.1M TRIS, 15% PEG 8000, 15% Glycerol, pH 7.5