7V29

Crystal structure of FGFR4 with a dual-warhead covalent inhhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	85
Detector technology	CCD
Collection date	2020-05-31
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97915
Spacegroup name	P 1 21 1
Unit cell lengths	69.421, 61.314, 76.531
Unit cell angles	90.00, 112.05, 90.00

Refinement procedure

Resolution	64.345 - 1.983
R-factor	0.1938
Rwork	0.191
R-free	0.24100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4qrc
RMSD bond length	0.006
RMSD bond angle	0.961
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.345	2.053
High resolution limit [Å]	1.983	1.983
Rmerge	0.116	0.326
Rmeas	0.126
Number of reflections	41464	4064
<I/σ(I)>	10.96	2.37
Completeness [%]	99.8
Redundancy	6.7
CC(1/2)	0.996	0.944

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	277.15	0.1 M Bis-Tris (pH 4.5), 0.2 M Li2SO4, 20% PEG 3350