6NVJ

FGFR4 complex with N-(2-((5-((2,6-dichloro-3,5-dimethoxybenzyl)oxy)pyrimidin-2-yl)amino)-3-fluorophenyl)acrylamide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 43 21 2
Unit cell lengths	63.040, 63.040, 181.953
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.570 - 2.300
R-factor	0.22487
Rwork	0.222
R-free	0.27123
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xcu
RMSD bond length	0.013
RMSD bond angle	1.623
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.570	2.380
High resolution limit [Å]	2.300	2.300
Rpim	0.051	0.700
Number of reflections	17211	1619
<I/σ(I)>	11.9	0.9
Completeness [%]	99.8	98
Redundancy	28	27.4
CC(1/2)	0.998	0.498

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	291	100mM Bis-tris pH 4.5, 200mM Lithium sulphate, 16% PEG 3350