6D78

The complex between high-affinity TCR DMF5(alpha-D26Y,beta-L98W) and human Class I MHC HLA-A2 with the bound MART-1(27-35)peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2016-12-15
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	226.900, 44.086, 83.219
Unit cell angles	90.00, 106.43, 90.00

Refinement procedure

Resolution	40.000 - 2.347
Rwork	0.204
R-free	0.25500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4l3e
Data reduction software	XDS
Data scaling software	Aimless
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.431
High resolution limit [Å]	2.347	2.347
Number of reflections	33491	6397
<I/σ(I)>	11.04
Completeness [%]	99.5
Redundancy	2
CC(1/2)	0.998	0.856

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	0.1 M Tris, 12% PEG6000, 0.2 M magnesium chloride