7L1C

Crystal structure of 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	2019-04-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 6 2 2
Unit cell lengths	155.720, 155.720, 85.660
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.950 - 1.960
R-factor	0.1707
Rwork	0.169
R-free	0.20510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xpg
RMSD bond length	0.015
RMSD bond angle	1.189
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	1.990
High resolution limit [Å]	1.960	1.960
Rmerge	0.123	0.918
Rmeas	0.127	0.960
Rpim	0.029	0.267
Number of reflections	44346	2187
<I/σ(I)>	29.3
Completeness [%]	99.9	100
Redundancy	17.6	10.9
CC(1/2)		0.800

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.6	277.15	20% w/v Polyethylene glycol 3,350, 200 mM Ammonium formate, pH 6.6