6VM9

T4H2 T cell receptor bound to HLA-A2 presenting gp100T2M peptide (IMDQVPFSV)

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	2018-08-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00000
Spacegroup name	P 64
Unit cell lengths	129.744, 129.744, 113.440
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.700 - 2.900
R-factor	0.2137
Rwork	0.210
R-free	0.25010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tvb
RMSD bond length	0.002
RMSD bond angle	0.489
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	2.950
High resolution limit [Å]	2.900	2.900
Rmerge	0.097	0.882
Rmeas	0.103	0.943
Rpim	0.033	0.324
Number of reflections	24229	1125
<I/σ(I)>	24.2	1.7
Completeness [%]	99.6	94.9
Redundancy	9.6	7.1
CC(1/2)	0.996	0.864

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, seeded with crushed crystals