8A5X

Crystal structure of phosphatidyl inositol 4-kinase II beta in complex with MM1373

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-13
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54187
Spacegroup name	P 1 21 1
Unit cell lengths	48.383, 87.007, 71.376
Unit cell angles	90.00, 107.78, 90.00

Refinement procedure

Resolution	31.630 - 2.400
R-factor	0.2115
Rwork	0.210
R-free	0.23100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4wtv
RMSD bond length	0.002
RMSD bond angle	0.477
Data reduction software	XDS (xdsgui2)
Data scaling software	XDS (xdsgui2)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.630	2.486
High resolution limit [Å]	2.400	2.400
Rmerge	0.100	0.608
Rmeas	0.116	0.706
Rpim	0.060	0.358
Number of reflections	20410	1863
<I/σ(I)>	13.38	2.29
Completeness [%]	92.2	84.38
Redundancy	3.6	3.8
CC(1/2)	0.996	0.764

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	10% w/v PEG 8.000, 20% v/v ethylene glycol, 3% v/v DMSO, 100 mM bicine/Trizma base pH 8.5, 20 mM 1,6-hexanediol, 20 mM 1-butanol, 20 mM 1,2-propanediol, 20 mM 2-propanol, 20 mM 1,4-butanediol, 20 mM 1,3-propanediol