6VMA

T4H2 T cell receptor bound to HLA-A2 presenting gp100 peptide (ITDQVPFSV)

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	PIXEL
Collection date	2018-03-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00000
Spacegroup name	P 64
Unit cell lengths	129.934, 129.934, 115.412
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.950 - 2.750
R-factor	0.1795
Rwork	0.176
R-free	0.21920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tvh
RMSD bond length	0.003
RMSD bond angle	0.560
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]	20.000	2.800
High resolution limit [Å]	2.750	2.750
Rmerge	0.070	1.334
Rmeas	0.074	1.409
Rpim	0.024	0.452
Number of reflections	28619	1407
<I/σ(I)>	32.3	1.8
Completeness [%]	100.0	100
Redundancy	9.8	9.6
CC(1/2)	1.000	0.632

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	296	18% v/v PEG10000, 16% v/v glycerol, 100 mM Tris pH 8.5, 100 mM sodium chloride