4RWL

Crystal structure of FGFR1 (C488A, C584C) in complex with 6-(7-((1-aminocyclopropyl) methoxy)-6-methoxyquinolin-4-yloxy)-N-methyl-1-naphthamide (E3810)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	77
Detector technology	CCD
Collection date	2014-08-22
Detector	ADSC QUANTUM 315
Wavelength(s)	1.075
Spacegroup name	C 1 2 1
Unit cell lengths	207.166, 57.860, 65.658
Unit cell angles	90.00, 107.19, 90.00

Refinement procedure

Resolution	32.986 - 2.193
R-factor	0.2093
Rwork	0.207
R-free	0.25550
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4nka
RMSD bond length	0.009
RMSD bond angle	1.080
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.230
High resolution limit [Å]	2.190	5.940	2.190
Rmerge		0.062	0.371
Number of reflections	38180
<I/σ(I)>	31.88
Completeness [%]	99.1	93.7	90
Redundancy	3.7	3.5	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.6	293	0.1 M sodium cacodylate pH 6.6, 34% PEG 8000, 0.2 M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 293K