7WCL

Crystal structure of FGFR1 kinase domain with Pemigatinib

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	Cu FINE FOCUS
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2021-08-01
Detector	RIGAKU
Wavelength(s)	1.5870
Spacegroup name	C 1 2 1
Unit cell lengths	210.831, 49.594, 66.804
Unit cell angles	90.00, 107.50, 90.00

Refinement procedure

Resolution	39.866 - 2.495
R-factor	0.1949
Rwork	0.193
R-free	0.23010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4rwj
RMSD bond length	0.003
RMSD bond angle	0.694
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.870	2.584
High resolution limit [Å]	2.495	2.495
Rmerge	0.070	0.288
Rmeas	0.079
Number of reflections	21761	1416
<I/σ(I)>	15.13	3.05
Completeness [%]	93.5	61.78
Redundancy	4.5	3
CC(1/2)	0.998	0.922

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277.15	18% (w/v) PEG 8000, 0.2 M LiSO4, 0.1 M MES (pH 6.5)