6IL3

Crystal structure of the FLT3 kinase bound to a small molecule inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-12-31
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	P 43 21 2
Unit cell lengths	81.641, 81.641, 147.843
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.500 - 2.500
R-factor	0.18491
Rwork	0.183
R-free	0.21863
RMSD bond length	0.015
RMSD bond angle	1.842
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0232)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.500	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.152
Number of reflections	18033
<I/σ(I)>	16.7
Completeness [%]	100.0
Redundancy	24.9	24.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	10.5	291	0.2 M Lithium Sulfate, 0.1 M CAPS, pH 10.5, 1.2 M Sodium dihydrogen phosphate, 0.8 M Di-potassium hydrogen phosphate