7N7K

Crystal Structure of PI5P4KIIAlpha complex with AMPPNP

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	135.948, 135.948, 94.910
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.000 - 2.000
R-factor	0.215
Rwork	0.213
R-free	0.25100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ybx
RMSD bond length	0.008
RMSD bond angle	1.165
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	2.070
High resolution limit [Å]	2.000	4.310	2.000
Rmerge	0.091	0.066	0.726
Rmeas	0.092	0.067	0.739
Rpim	0.015	0.012	0.133
Number of reflections	34622	3740	2864
<I/σ(I)>	10.3
Completeness [%]	97.7	98	82.8
Redundancy	37.1	34	28.6
CC(1/2)		0.998	0.915

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