9HHM

Crystal structure of phosphatidyl inositol 4-kinase II beta in complex with HH5129

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-10-27
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9763
Spacegroup name	P 41 21 2
Unit cell lengths	105.240, 105.240, 211.640
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.270 - 2.250
R-factor	0.217
Rwork	0.216
R-free	0.23990
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.491
Data reduction software	XDS (xdsgui2)
Data scaling software	XDS (xdsgui2)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.270	2.330
High resolution limit [Å]	2.250	2.250
Rmerge	0.275	3.199
Rmeas	0.281	3.293
Rpim	0.057	0.749
Number of reflections	57107	5550
<I/σ(I)>	8.55	1.44
Completeness [%]	99.8	98.51
Redundancy	23.7	15.9
CC(1/2)	0.997	0.516

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	100 mM HEPES, pH 7.0; 15 % (w/v) PEG 4,000