9Y9N

PLK4 in complex with Compound 25 ((R)-7-hydroxy-N-(3-(1-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl)-1H-pyrazol-4-yl)-7-(trifluoromethyl)-4-azaspiro[2.5]octane-4-carboxamide)

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-10-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 65
Unit cell lengths	105.097, 105.097, 47.974
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	23.200 - 1.810
R-factor	0.2094
Rwork	0.208
R-free	0.23720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.690
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	91.000	2.000
High resolution limit [Å]	1.810	1.810
Number of reflections	20057	962
<I/σ(I)>	12.7	1.8
Completeness [%]	90.0
Redundancy	20.9
CC(1/2)	0.990	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		293	1.4 M sodium phosphate monobasic monohydrate/potassium phosphate dibasic pH 5.6