9OLE

Crystal Structure of PI5P4KIIAlpha complex with 066ATZ

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-05-22
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97934
Spacegroup name	P 61 2 2
Unit cell lengths	136.493, 136.493, 94.904
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.433 - 2.404
Rwork	0.184
R-free	0.24290
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.281
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC (5.8.0419)
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.064
Rmeas	0.068
Rpim	0.020	0.295
Number of reflections	20802	2034
<I/σ(I)>	12.8
Completeness [%]	99.9
Redundancy	10.8
CC(1/2)		0.911

Crystallization Conditions

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