5MEO

Human Leukocyte Antigen presenting ILGKFLHRL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-12-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	49.200, 74.870, 125.820
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.160 - 1.772
R-factor	0.1729
Rwork	0.171
R-free	0.21370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4i4w
RMSD bond length	0.019
RMSD bond angle	1.983
Data reduction software	XDS
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC (5.8.0107)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.200		1.820
High resolution limit [Å]	1.772	7.930	1.772
Rmerge		0.046	0.718
Rmeas	0.120
Rpim	0.044
Total number of observations	332927
Number of reflections	46011
<I/σ(I)>	10.5	13.7	1
Completeness [%]	100.0	98.5	100
Redundancy	7.2	6.5	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M ammonium sulphate, 0.1 M Tris pH 7.5, 25% PEG 8000