8UE1

Crystal Structure of Human Fructosamine-3-kinase (FN3K)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9791
Spacegroup name	P 1 21 1
Unit cell lengths	52.484, 50.241, 65.651
Unit cell angles	90.00, 106.33, 90.00

Refinement procedure

Resolution	46.180 - 2.850
Rwork	0.198
R-free	0.25750
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.180	12.750	2.920
High resolution limit [Å]	2.850	9.010	2.850
Rmerge	0.113	0.031	0.870
Rmeas	0.156	0.043	1.201
Number of reflections	7721	304	1055
<I/σ(I)>	6.41
Completeness [%]	95.9
Redundancy	3.41
CC(1/2)	0.988	0.996	0.483

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	100 mM HEPES, pH 7.5, 300 mM NaCl, 20% PEG 3350