8UDU

The X-RAY co-crystal structure of human FGFR3 and Compound 17

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-07-27
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9763
Spacegroup name	P 1 21 1
Unit cell lengths	55.700, 69.314, 78.473
Unit cell angles	90.00, 90.96, 90.00

Refinement procedure

Resolution	34.140 - 1.737
R-factor	0.2311
Rwork	0.230
R-free	0.25580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.780
Data reduction software	autoPROC (1.1.7)
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.11.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.140	1.800
High resolution limit [Å]	1.737	1.737
Rmerge	0.040	0.910
Rmeas	0.040	0.950
Rpim	0.010	0.260
Number of reflections	61639	6122
<I/σ(I)>	26.9	2.5
Completeness [%]	100.0	100
Redundancy	14	13.5
CC(1/2)	1.000	0.900

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.10 M Magnesium Chloride, 0.10 M TRIS/HCl pH 8.10, 0.20 M Sodium Chloride, 20.00 % (w/v) PEG 3350