9TFG

KIT kinase domain in complex with a 6-,7-dimethoxyquinoline-based compound (19)

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-04-25
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.9677
Spacegroup name	P 21 21 21
Unit cell lengths	58.650, 58.970, 192.450
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.110 - 1.700
R-factor	0.1763
Rwork	0.174
R-free	0.21380
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.800
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]	48.110	1.800
High resolution limit [Å]	1.700	1.700
Number of reflections	74296	11524
<I/σ(I)>	12.06
Completeness [%]	99.8
Redundancy	13.7
CC(1/2)	0.999	0.731

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	19% PEG3350, 125 mM Na-Tartrate; 293.15 K (cryoprotectant: glycerol)