7L1B

Crystal structure of HLA-A*03:01 in complex with a wild-type 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	156.592, 156.592, 86.213
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.200 - 2.040
R-factor	0.1961
Rwork	0.195
R-free	0.22110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xpg
RMSD bond length	0.002
RMSD bond angle	0.457
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.090
High resolution limit [Å]	2.040	2.050
Rmerge	0.110	0.598
Rmeas	0.113	0.620
Rpim	0.026	0.156
Number of reflections	39401	1745
<I/σ(I)>	33.7
Completeness [%]	98.7
Redundancy	17.5
CC(1/2)	0.998	0.949

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277.15	10.00 % w/v Polyethylene glycol 8,000, 200 mM Calcium acetate, 100 mM HEPES; pH 7.5