9CWY

Crystal structure of HLA-A*03:02 in complex with a wild-type PIK3CA peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-23
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97918
Spacegroup name	P 6 2 2
Unit cell lengths	156.239, 156.239, 85.896
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.100 - 1.980
R-factor	0.1956
Rwork	0.193
R-free	0.22360
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.568
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.010
High resolution limit [Å]	1.980	1.980
Number of reflections	81909	4063
<I/σ(I)>	28.83	2.33
Completeness [%]	100.0	100
Redundancy	15.9	7.6
CC(1/2)	0.998	0.902

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277.15	12% w/v polyethylene glycol 3,350, 4% v/v Tacsimate (Hampton Research)