6NVL

FGFR1 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	2017-12-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 1 21 1
Unit cell lengths	93.331, 83.701, 102.604
Unit cell angles	90.00, 113.60, 90.00

Refinement procedure

Resolution	47.060 - 2.700
R-factor	0.21514
Rwork	0.213
R-free	0.26289
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4wun
RMSD bond length	0.003
RMSD bond angle	1.241
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]	47.060	2.810
High resolution limit [Å]	2.700	2.700
Number of reflections	40011	4482
<I/σ(I)>	4.8	1.5
Completeness [%]	100.0	100
Redundancy	6.8	6.3
CC(1/2)	0.971	0.505

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	90 mM NPS salt mixture (30 mM sodium nitrate, 30 mM sodium phosphate dibasic, 30 mM ammonium sulfatesulfate), 100 mM HEPES/MOPS pH 7.5, and 50% v/v of a precipitant mixture of 40% v/v PEG 500 MME and 20 % w/v PEG 20,000