9WFK

Crystal structure of FGFR1 kinase domain in complex with LJ5368((2R,3R,4S,5R)-2-(4-amino-5-(7-methoxy-5-methylbenzo[b]thiophen-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol)

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-10-07
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9795
Spacegroup name	C 1 2 1
Unit cell lengths	212.002, 50.823, 65.665
Unit cell angles	90.00, 107.05, 90.00

Refinement procedure

Resolution	31.650 - 1.890
R-factor	0.199
Rwork	0.198
R-free	0.22880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.971
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.500	1.920
High resolution limit [Å]	1.890	1.890
Number of reflections	53934	2249
<I/σ(I)>	1.59
Completeness [%]	89.2
Redundancy	4.4
CC(1/2)	0.992	0.741

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295.15	PEG 3350, L-proline, HEPES