7L1D

Crystal structure of human 21LT2-2 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	2019-11-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 43 21 2
Unit cell lengths	72.282, 72.282, 475.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.510 - 3.110
R-factor	0.2021
Rwork	0.198
R-free	0.24970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xpg 3qh3 4prh
RMSD bond length	0.002
RMSD bond angle	0.494
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.150
High resolution limit [Å]	3.110	3.110
Rmerge	0.145	1.365
Rmeas	0.148	1.410
Rpim	0.032	0.335
Number of reflections	24158	914
<I/σ(I)>	25
Completeness [%]	99.7	97.6
Redundancy	20.2	14.1
CC(1/2)		0.797

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277.15	10% w/v Polyethylene glycol 8,000, 200mM Magnesium acetate