7N71

Crystal Structure of PI5P4KIIAlpha

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2014-08-24
Detector	ADSC QUANTUM 315
Wavelength(s)	1.075
Spacegroup name	P 61 2 2
Unit cell lengths	135.709, 135.709, 94.312
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.000 - 2.500
R-factor	0.1991
Rwork	0.197
R-free	0.23250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ybx
RMSD bond length	0.007
RMSD bond angle	1.065
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC (5.8.0218)
Refinement software	REFMAC (5.8.0218)

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	0.087	0.045	0.766
Rmeas	0.090	0.046	0.790
Rpim	0.020	0.011	0.189
Number of reflections	18288	1998	1777
<I/σ(I)>	18.4
Completeness [%]	100.0	99.8	100
Redundancy	18.6	18.9	17
CC(1/2)		0.999	0.927

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	0.2 M Ammonium sulfate, 0.1 M HEPES pH 7.5, 25% (w/v) Polyethylene glycol 3350