6G3K

MHC A02 Allele presenting MTSAIGILPV

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-01-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.96895
Spacegroup name	P 21 21 2
Unit cell lengths	119.980, 171.090, 50.580
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.580 - 2.900
R-factor	0.23816
Rwork	0.236
R-free	0.28709
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5eu5
RMSD bond length	0.017
RMSD bond angle	1.939
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.580	2.730
High resolution limit [Å]	2.660	2.660
Rmerge	0.170	1.307
Rmeas	0.185	1.422
Number of reflections	27470	1806
<I/σ(I)>	7.5	1.3
Completeness [%]	89.5	82.1
Redundancy	6.1	5.8
CC(1/2)	0.993	0.558

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291