9UHI

FGFR1 kinase domain with a covalent inhibitor 9o

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	80
Detector technology	CCD
Collection date	2024-04-13
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97918
Spacegroup name	C 1 2 1
Unit cell lengths	211.430, 49.280, 66.550
Unit cell angles	90.00, 107.42, 90.00

Refinement procedure

Resolution	34.750 - 1.760
R-factor	0.1632
Rwork	0.161
R-free	0.19700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.241
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.750	1.823
High resolution limit [Å]	1.760	1.760
Rmerge	0.041	0.118
Number of reflections	64663	5964
<I/σ(I)>	26.45	9.5
Completeness [%]	99.1	92.39
Redundancy	6.2
CC(1/2)	0.999	0.985

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	16% (w/v) PEG 8000, 0.2 M LiSO4, and 0.1 M MES, pH 6.5