6VMC

T4H2 T cell receptor bound to HLA-A2 presenting gp100T2L peptide (ILDQVPFSV)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-18
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.03320
Spacegroup name	P 64
Unit cell lengths	129.532, 129.532, 115.656
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.740 - 2.850
R-factor	0.2002
Rwork	0.197
R-free	0.23850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tvh
RMSD bond length	0.002
RMSD bond angle	0.446
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.900
High resolution limit [Å]	2.850	2.850
Rmerge	0.197	1.182
Rmeas	0.202	1.224
Rpim	0.045	0.316
Number of reflections	25782	1266
<I/σ(I)>	26	3
Completeness [%]	100.0	100
Redundancy	19.8	14.9
CC(1/2)	0.998	0.611

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	296	18% v/v PEG10000, 16% v/v glycerol, 250 mM Tris pH 8.5, 60 mM sodium chloride