7RNU

nSH2 domain of p85-beta subunit of phosphatidylinositol 3-kinase in complex with an actin peptide with phosphorylated tyrosine 53

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-09-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0000
Spacegroup name	C 1 2 1
Unit cell lengths	188.083, 41.432, 65.875
Unit cell angles	90.00, 100.29, 90.00

Refinement procedure

Resolution	34.920 - 1.450
R-factor	0.1914
Rwork	0.191
R-free	0.22220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2iui
RMSD bond length	0.005
RMSD bond angle	0.832
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.920	1.500
High resolution limit [Å]	1.450	1.450
Number of reflections	79846	4489
<I/σ(I)>	11.8
Completeness [%]	89.7
Redundancy	4.5
CC(1/2)	0.991	0.690

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	292	25% w/v PEG1500, 100 mM MIB, pH 5.0