5MEN

Human Leukocyte Antigen A02 presenting ILAKFLHWL, in complex with cognate T-Cell Receptor

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	2011-05-27
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9778
Spacegroup name	P 1 21 1
Unit cell lengths	93.160, 48.690, 118.100
Unit cell angles	90.00, 108.15, 90.00

Refinement procedure

Resolution	38.030 - 2.810
R-factor	0.1931
Rwork	0.189
R-free	0.27240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4i4w
RMSD bond length	0.017
RMSD bond angle	2.025
Data reduction software	XDS
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0107)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	56.112	56.112	2.880
High resolution limit [Å]	2.809	12.560	2.810
Rmerge		0.033	0.730
Rmeas	0.142
Rpim	0.072
Total number of observations	91454
Number of reflections	25031
<I/σ(I)>	9.2	18.5	0.9
Completeness [%]	99.7	97.1	99.8
Redundancy	3.7	3.2	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2M ammonium sulphate, 0.1M HEPES pH7, 20% PEG 8000