8UDT

The X-RAY co-crystal structure of human FGFR3 and KIN-3248

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	I 2 2 2
Unit cell lengths	89.980, 160.440, 179.163
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.290 - 2.829
R-factor	0.2629
Rwork	0.262
R-free	0.27400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.750
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]	33.290	2.930
High resolution limit [Å]	2.830	2.830
Rmerge	0.120	1.750
Rmeas	0.120	1.780
Rpim	0.020	0.330
Number of reflections	31351	3088
<I/σ(I)>	19.1	2.3
Completeness [%]	100.0	100
Redundancy	28.1	29.2
CC(1/2)	1.000	0.900

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.20 M DL-Malic acid pH 5.00, 18.00 % (w/v) PEG 4000