4R6V

Crystal Structure of FGF Receptor (FGFR) 4 Kinase Harboring the V550L Gate-Keeper Mutation in Complex with FIIN-3, an Irreversible Tyrosine Kinase Inhibitor Capable of Overcoming FGFR kinase Gate-Keeper Mutations

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4C
Synchrotron site	NSLS
Beamline	X4C
Temperature [K]	100
Detector technology	CCD
Collection date	2014-07-21
Detector	MAR CCD 165 mm
Wavelength(s)	0.97916
Spacegroup name	H 3
Unit cell lengths	139.381, 139.381, 50.090
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.544 - 2.353
R-factor	0.1795
Rwork	0.174
R-free	0.22740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4qqc
RMSD bond length	0.008
RMSD bond angle	1.146
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.390
High resolution limit [Å]	2.350	6.370	2.350
Rmerge	0.078
Number of reflections	14984
<I/σ(I)>	12.2
Completeness [%]	99.6	97.9	98.2
Redundancy	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	0.1 M HEPES, 1.0-1.2 M (NH4)2SO4, 10 mM Yitrium (III) Chloride hexahydrate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K