9CXO

Crystal structure of Human FN3K(D217S) mutant bound with ATP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	52.312, 112.448, 132.935
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	85.850 - 2.320
R-factor	0.2024
Rwork	0.201
R-free	0.23710
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.565
Data reduction software	RAPD
Data scaling software	RAPD
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1-4487-0000)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	132.900	2.430
High resolution limit [Å]	2.320	2.320
Rmerge	0.097	0.677
Number of reflections	34801	3417
<I/σ(I)>	12
Completeness [%]	99.3
Redundancy	4.5
CC(1/2)	0.990	0.730

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	30% PEG 6000, 0.1 M HEPES pH 7.5, and 0.175 M LiSO4