6DKP

The complex among DMF5(alpha-D26Y, alpha-Y50A,beta-L98W) TCR, human Class I MHC HLA-A2 and MART-1(26-35)(A27L) peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-03-29
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97950
Spacegroup name	C 1 2 1
Unit cell lengths	226.485, 49.063, 92.500
Unit cell angles	90.00, 94.98, 90.00

Refinement procedure

Resolution	47.943 - 2.966
R-factor	0.2315
Rwork	0.229
R-free	0.28640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4l3e
RMSD bond length	0.002
RMSD bond angle	0.524
Data reduction software	XDS
Data scaling software	Aimless
Refinement software	PHENIX ((1.11.1_2575))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.943	3.072
High resolution limit [Å]	2.966	2.966
Number of reflections	20514	5130
<I/σ(I)>	10.55
Completeness [%]	94.0
Redundancy	2.4
CC(1/2)	0.996	0.836

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	12% Peg 3350, 250mM MgCl2, 0.1M HEPES