10DJ

Fyn Kinase Domain-Saracatinib Complex Structure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	CCD
Collection date	2025-01-15
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0000
Spacegroup name	P 21 21 2
Unit cell lengths	79.687, 89.601, 92.010
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.850 - 2.220
R-factor	0.2459
Rwork	0.245
R-free	0.26810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.761
Data reduction software	HKL-2000
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (("2.0_5885": ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.850	2.280
High resolution limit [Å]	2.220	2.220
Number of reflections	33168	2691
<I/σ(I)>	4
Completeness [%]	99.7
Redundancy	8.6
CC(1/2)	0.991	0.462

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	4.0 M ammonium acetate, 0.1 M sodium acetate trihydrate, pH 4.6