9CX0

Crystal structure of HLA-A*03:01 E152V mutant in complex with a mutant 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	2022-09-16
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97918
Spacegroup name	P 6 2 2
Unit cell lengths	156.060, 156.060, 85.509
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.050 - 1.920
R-factor	0.2131
Rwork	0.210
R-free	0.24160
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.699
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	1.950
High resolution limit [Å]	1.920	1.920
Rmerge	0.152	1.106
Rmeas	0.154	1.129
Rpim		0.217
Number of reflections	47085	2314
<I/σ(I)>	42.9	4.9
Completeness [%]	100.0
Redundancy	30.4
CC(1/2)	0.993	0.966

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	277.15	12% w/v polyethylene glycol 3,350, 100 mM sodium malonate