6D7G

Structure of 5F3 TCR in complex with HLA-A2/MART-1

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	2016-07-08
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.91940
Spacegroup name	P 62
Unit cell lengths	123.953, 123.953, 154.156
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.300 - 2.750
R-factor	0.212
Rwork	0.211
R-free	0.23700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.313
Data reduction software	DENZO
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.849
High resolution limit [Å]	2.750	2.750
Rmerge	0.097	0.975
Rmeas	0.102	1.025
Rpim	0.032	0.315
Number of reflections	34834
<I/σ(I)>	11.66
Completeness [%]	99.9
Redundancy	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295.15	PEG 550 MME, TRIS, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 295K