7N81

Crystal Structure of PI5P4KIIBeta complex with CC260

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	CCD
Collection date	2017-06-10
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	73.523, 51.748, 107.606
Unit cell angles	90.00, 95.38, 90.00

Refinement procedure

Resolution	40.000 - 2.700
R-factor	0.1916
Rwork	0.187
R-free	0.28050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bo1
RMSD bond length	0.012
RMSD bond angle	1.631
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC (5.8.0189)
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	2.800
High resolution limit [Å]	2.700	5.810	2.700
Rmerge	0.122	0.077	0.968
Rmeas	0.142	0.089	1.125
Rpim	0.070	0.044	0.562
Number of reflections	22278	2314	2171
<I/σ(I)>	7
Completeness [%]	98.8	98.1	98.7
Redundancy	3.9	3.8	3.8
CC(1/2)		0.992	0.522

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.2 M Sodium bromide, 0.02 M Cadmium chloride, 20% (w/v) Polyethylene glycol 3350