7RRG

Crystal structure of human 0606T1-2 TCR bound to HLA-A*03:01 in complex with a mutant PIK3CA peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	C 1 2 1
Unit cell lengths	227.270, 46.253, 120.262
Unit cell angles	90.00, 118.67, 90.00

Refinement procedure

Resolution	49.850 - 2.120
R-factor	0.1954
Rwork	0.193
R-free	0.22090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xpg 6at6 6r2l
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.160
High resolution limit [Å]	2.120	2.120
Rmerge	0.111	0.614
Rmeas	0.122	0.680
Rpim	0.048	0.284
Number of reflections	61648	2969
<I/σ(I)>	17.92
Completeness [%]	98.4
Redundancy	6.2
CC(1/2)	0.990	0.812

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277.15	12% w/v Polyethylene glycol 3,350, 100 mM Succinic acid