4WUN

Structure of FGFR1 in complex with AZD4547 (N-{3-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-5-YL}-4-[(3R,5S)-3,5-DIMETHYLPIPERAZIN-1-YL]BENZAMIDE) at 1.65 angstrom

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-04-24
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	I 1 2 1
Unit cell lengths	65.486, 50.517, 201.280
Unit cell angles	90.00, 91.23, 90.00

Refinement procedure

Resolution	20.000 - 1.650
R-factor	0.22621
Rwork	0.225
R-free	0.24678
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4nk9
RMSD bond length	0.009
RMSD bond angle	1.414
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0071)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.680
High resolution limit [Å]	1.650	1.650
Number of reflections	79263
<I/σ(I)>	9.1	4.3
Completeness [%]	99.8	96.4
Redundancy	8.3	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	20% MPEG 5000, 0.1 M sodium cacodylate pH 7.5, 0.2 M ammonium sulfate
1	VAPOR DIFFUSION, HANGING DROP		291	20% MPEG 5000, 0.1 M sodium cacodylate pH 7.5, 0.2 M ammonium sulfate