9CX2

Crystal structure of HLA-A*03:01 L156Q 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	2022-02-27
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97918
Spacegroup name	P 6 2 2
Unit cell lengths	156.424, 156.424, 85.639
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.940 - 2.300
Rwork	0.194
R-free	0.21870
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.439
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.20rc3_4406: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.340
High resolution limit [Å]	2.300	2.300
Rmerge	0.102	0.755
Rmeas	0.104	0.765
Rpim	0.017	0.126
Number of reflections	27935	2628
<I/σ(I)>	50.78	9.2
Completeness [%]	98.9	96.19
Redundancy	39.5
CC(1/2)	0.997	0.987

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277.15	10% w/v polyethylene glycol 20,000, 100 mM MES