9ASG

Crystal structure of HLA-A*03:01 in complex with a mutant PIK3CA peptide analogue (Trp-6 Bta)

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	2022-07-01
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97918
Spacegroup name	P 6 2 2
Unit cell lengths	156.800, 156.800, 85.602
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.020 - 2.030
R-factor	0.2062
Rwork	0.203
R-free	0.23770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.624
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.020	2.103
High resolution limit [Å]	2.030	2.030
Rmerge	0.202	1.548
Rmeas	0.205
Rpim	0.036	0.315
Number of reflections	40437	3563
<I/σ(I)>	25.73	3.72
Completeness [%]	97.2	89.88
Redundancy	34.1
CC(1/2)	0.997	0.778

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277.15	15% w/v Polyethylene glycol 3,350, 150mM Cesium chloride