7N80

Crystal Structure of PI5P4KIIBeta

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	2017-07-07
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	71.727, 51.205, 107.085
Unit cell angles	90.00, 94.59, 90.00

Refinement procedure

Resolution	40.000 - 2.500
R-factor	0.2053
Rwork	0.201
R-free	0.28330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bo1
RMSD bond length	0.012
RMSD bond angle	1.645
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	2.590
High resolution limit [Å]	2.500	5.380	2.500
Rmerge	0.129	0.074	0.660
Rmeas	0.160	0.092	0.843
Rpim	0.093	0.054	0.516
Number of reflections	24659	2780	1888
<I/σ(I)>	4.6
Completeness [%]	89.0	96	68.4
Redundancy	2.6	2.7	2
CC(1/2)		0.986	0.416

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	295	0.15 M DL-Malic acid pH 7.0, 20% (w/v) Polyethylene glycol 3350