7N7J

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	2014-07-29
Detector	ADSC QUANTUM 315
Wavelength(s)	1.075
Spacegroup name	P 61 2 2
Unit cell lengths	136.074, 136.074, 95.141
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.000 - 2.100
R-factor	0.2147
Rwork	0.213
R-free	0.25080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ybx
RMSD bond length	0.009
RMSD bond angle	1.196
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	2.180
High resolution limit [Å]	2.100	4.520	2.100
Rmerge	0.074	0.038	0.711
Rmeas	0.077	0.039	0.740
Rpim	0.021	0.011	0.201
Number of reflections	30655	3253	2996
<I/σ(I)>	11
Completeness [%]	99.7	98.1	99.7
Redundancy	13.6	13.2	13.1
CC(1/2)		0.999	0.867

Crystallization Conditions

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