6SS7

Human Leukocyte Antigen Class I A02 Carrying LLWAGPMAV

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97625
Spacegroup name	P 21 21 2
Unit cell lengths	117.560, 169.250, 49.070
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	84.620 - 2.500
R-factor	0.2295
Rwork	0.226
R-free	0.30440
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	1.888
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	84.620	2.420
High resolution limit [Å]	2.360	2.360
Rmerge	0.248	1.713
Rmeas	0.288	1.982
Rpim	0.145	0.988
Number of reflections	41105	2956
<I/σ(I)>	6.3	1.2
Completeness [%]	99.6	99.4
Redundancy	7.2	7.6
CC(1/2)	0.990	0.484

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1 M Sodium Cacodylate pH 6.0, 0.2 M Ammonium Sulphate, 25% PEG 4000. A2/LLW-7I crystals were grown in 0.1 M Mes pH 7.0, 0.2 M Ammonium Sulphate, 25% PEG 8000