6NVH

FGFR4 complex with N-(2-((5-((2,6-dichloro-3,5-dimethoxybenzyl)oxy)pyrimidin-2-yl)amino)-3-methylphenyl)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	64.127, 64.127, 181.924
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.520 - 1.900
R-factor	0.21326
Rwork	0.212
R-free	0.23364
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xcu
RMSD bond length	0.005
RMSD bond angle	1.290
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]	45.520	1.940
High resolution limit [Å]	1.900	1.900
Rpim	0.023	0.580
Number of reflections	30981	1946
<I/σ(I)>	16.8	1.5
Completeness [%]	100.0	99.9
Redundancy	13.1	11.5
CC(1/2)	0.998	0.623

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	100mM Bis-tris pH 4.5, 200mM lithium sulphate, 12% PEG3350