36JF

Crystal structure of Yck2 from Candida albicans in complex with kinase inhibitor MN-II-74: 4-(2-(4-fluorophenyl)-6-methylpyrazolo[1,5-a]pyridin-3-yl)pyridin-2-amine

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	RIGAKU MICROMAX-003
Temperature [K]	100
Detector technology	PIXEL
Collection date	2026-03-20
Detector	DECTRIS EIGER R 1M
Wavelength(s)	1.5418
Spacegroup name	H 3
Unit cell lengths	91.373, 91.373, 119.441
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.020 - 2.300
R-factor	0.204
Rwork	0.201
R-free	0.25900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.543
Data reduction software	CrysalisPro
Data scaling software	CrysalisPro
Phasing software	PHASER
Refinement software	PHENIX (2.1rc1_6017)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.118	0.550
Number of reflections	16512	1651
<I/σ(I)>	10.42	1.56
Completeness [%]	99.9	99.8
Redundancy	5.4	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	298	0.1 M TRIS PH 8, 25 mM MAGNESIUM CHLORIDE, 20% (W/V) PEG3350, 10 mM compound