6SS8

Human Leukocyte Antigen Class I A02 Carrying LLWNGPIAV

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 PILATUS3 S 6M
Wavelength(s)	0.97625
Spacegroup name	P 21 21 2
Unit cell lengths	118.109, 168.621, 48.926
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.540 - 2.240
R-factor	0.2305
Rwork	0.228
R-free	0.27720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.660
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER (2.8.2)
Refinement software	REFMAC (5.8.0222)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.540	29.530	2.290
High resolution limit [Å]	2.240	10.000	2.240
Rmerge	0.218	0.085	1.066
Rmeas	0.237	0.094	1.166
Rpim	0.092	0.039	0.462
Total number of observations		3529	15526
Number of reflections	47512	607	2730
<I/σ(I)>	8.3	20.6	1.4
Completeness [%]	98.3	95.8	78.6
Redundancy	6.9	5.8	5.7
CC(1/2)	0.988	0.994	0.382

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1 M Mes pH 7.0, 0.2 M Amonium Sulphate, 25 % PEG 8000