5MEP

Human Leukocyte Antigen A02 presenting ILGKFLHWL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-10-09
Detector	PSI PILATUS 6M
Wavelength(s)	0.97949
Spacegroup name	P 21 21 2
Unit cell lengths	119.410, 169.550, 47.050
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.390 - 2.710
R-factor	0.1849
Rwork	0.182
R-free	0.23940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4i4w
RMSD bond length	0.013
RMSD bond angle	1.658
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.390	42.390	2.780
High resolution limit [Å]	2.710	12.120	2.710
Rmerge	0.113	0.053	0.905
Rpim	0.045
Total number of observations	195005
Number of reflections	26894
<I/σ(I)>	14.1	32.3	2.3
Completeness [%]	100.0	98.4	100
Redundancy	7.3	6.2	7.1
CC(1/2)	0.997	0.998	0.714

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2M ammonium sulphate, 0.1M MES pH7, 15% PEG 8000