4QQ5

Crystal Structure of FGF Receptor (FGFR) 4 Kinase Harboring the V550L Gate-Keeper Mutation in Complex With FIIN-2, 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	2014-04-11
Detector	MAR CCD 165 mm
Wavelength(s)	0.97947
Spacegroup name	H 3
Unit cell lengths	139.599, 139.599, 49.660
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.372 - 2.203
R-factor	0.1972
Rwork	0.193
R-free	0.23380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2psq
RMSD bond length	0.008
RMSD bond angle	1.229
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.102
Number of reflections	18138
<I/σ(I)>	13.5
Completeness [%]	99.1	90.1
Redundancy	4.9

Crystallization Conditions

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