5NMG

868 TCR in complex with HLA A02 presenting SLYFNTIAVL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-04-08
Detector	DECTRIS PILATUS 2M
Wavelength(s)	.9173
Spacegroup name	P 21 21 2
Unit cell lengths	209.360, 85.110, 113.150
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.830 - 2.750
R-factor	0.19892
Rwork	0.196
R-free	0.25449
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bnu 2v2w
RMSD bond length	0.016
RMSD bond angle	1.962
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.500	2.790
High resolution limit [Å]	2.720	2.720
Rmerge	0.119	0.909
Number of reflections	54939	3990
<I/σ(I)>	12.8	2.4
Completeness [%]	99.7	99.7
Redundancy	7.4	7.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1 M Sodium Cacodylate, pH 5.5, 15% PEG 4000, 0.2 M Ammonium Sulphate