6NVI

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

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	PIXEL
Collection date	2017-08-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 43 21 2
Unit cell lengths	63.740, 63.740, 182.260
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.610 - 2.117
R-factor	0.24359
Rwork	0.242
R-free	0.28053
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xcu
RMSD bond length	0.007
RMSD bond angle	1.295
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.610	2.160
High resolution limit [Å]	2.117	2.117
Rpim	0.028	0.983
Number of reflections	22291	1768
<I/σ(I)>	13.2	0.9
Completeness [%]	100.0	99.5
Redundancy	25.2	20
CC(1/2)	0.999	0.517

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	291	100mM bis-tris pH 4.5, 200mM lithium sulfate, 16% PEG 3350