4QQC

Crystal Structure of FGF Receptor (FGFR) 4 Kinase Domain 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	2014-03-14
Detector	MAR CCD 165 mm
Wavelength(s)	0.97900
Spacegroup name	H 3
Unit cell lengths	139.830, 139.830, 49.486
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.790 - 2.400
R-factor	0.1633
Rwork	0.158
R-free	0.21400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2psq
RMSD bond length	0.008
RMSD bond angle	1.142
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	Outer shell
Low resolution limit [Å]	50.000	2.390
High resolution limit [Å]	2.350	2.350
Rmerge	0.106
Number of reflections	15298
<I/σ(I)>	29.7
Completeness [%]	100.0	99.6
Redundancy	11.3

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 Yttrium (III) chloride hexahydrate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K