9U7G

FGFR1 kinase domain with a macrocyclic compound 8g

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	80
Detector technology	CCD
Collection date	2023-10-30
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97918
Spacegroup name	C 1 2 1
Unit cell lengths	211.760, 49.790, 66.587
Unit cell angles	90.00, 107.67, 90.00

Refinement procedure

Resolution	34.690 - 1.660
R-factor	0.1886
Rwork	0.187
R-free	0.21610
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.285
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]	34.690	1.720
High resolution limit [Å]	1.660	1.660
Rmerge	0.084	1.241
Number of reflections	75874	6225
<I/σ(I)>	12.93
Completeness [%]	96.8	80.55
Redundancy	6.4	4.6
CC(1/2)	0.999	0.538

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277.15	20% (w/v) PEG 8000, 0.2 M LiSO4, and 0.1 M MES, pH 6.5