9TFK

KIT kinase domain in complex with a quinoline-3-carbonitrile-based compound (38)

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-06-22
Detector	DECTRIS EIGER2 X CdTe 16M
Wavelength(s)	0.8856
Spacegroup name	P 21 21 21
Unit cell lengths	59.080, 58.810, 192.550
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.250 - 1.700
R-factor	0.1793
Rwork	0.178
R-free	0.20000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.827
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.250	1.800
High resolution limit [Å]	1.700	1.700
Number of reflections	74650	11568
<I/σ(I)>	15.62
Completeness [%]	99.8
Redundancy	13.4
CC(1/2)	0.999	0.745

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293.15	10% PEG3350, 100 mM tri-lithium citrate, 100 mM Bis-Tris-propane pH 7.0; 293.15 K (cryoprotectant: ethylene glycol)