5X02

Crystal structure of the FLT3 kinase domain bound to the inhibitor FF-10101

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-02-19
Detector	ADSC QUANTUM 270
Wavelength(s)	0.98
Spacegroup name	P 43 21 2
Unit cell lengths	81.993, 81.993, 143.558
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.906 - 2.401
R-factor	0.236
Rwork	0.234
R-free	0.27660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rjb
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.400
Number of reflections	19769
<I/σ(I)>	57.6
Completeness [%]	99.5
Redundancy	14.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.7	293	2.2-2.4M Na/K Phosphate, 0.1M CAPS (pH6.7), 0.2M Litium Sulfate