7Q99

MHC Class I A02 Allele presenting NLSALGIFST, 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	121.280, 121.280, 81.314
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.640 - 2.550
R-factor	0.2209
Rwork	0.218
R-free	0.27220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3hg1
RMSD bond length	0.010
RMSD bond angle	1.454
Data reduction software	XDS
Data scaling software	xia2
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.650	2.590
High resolution limit [Å]	2.550	2.550
Rmerge	0.197	3.860
Rmeas	0.211	4.150
Rpim	0.075	1.520
Number of reflections	70731	1909
<I/σ(I)>	7.2	0.4
Completeness [%]	100.0	100
Redundancy	7.8	7.4
CC(1/2)	0.995	0.221

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.1M HEPES, 25% PEG 4000, 15% Glycerol, pH 7.5