5GJI

PI3K p85 N-terminal SH2 domain/CD28-derived peptide complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	95
Detector technology	CCD
Collection date	2014-05-13
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9800
Spacegroup name	P 1
Unit cell lengths	27.590, 31.240, 32.250
Unit cell angles	73.28, 85.38, 71.73

Refinement procedure

Resolution	30.884 - 0.900
R-factor	0.1268
Rwork	0.126
R-free	0.14460
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.387
Data reduction software	XDS (March 1, 2015)
Data scaling software	XSCALE (March 1, 2015)
Phasing software	MOLREP
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.900	0.950
High resolution limit [Å]	0.900	0.900
Rmerge	0.055	0.342
Number of reflections	65076
<I/σ(I)>	18.1	4
Completeness [%]	89.5	81.1
Redundancy	5.5	3.9
CC(1/2)	0.999	0.920

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	100mM Sodium acetate trihydrate, 30% PEG MME 2000, 200mM Ammonium sulfate