8XBK

Crystal Structure of Human Liver Fructose-1,6-bisphosphatase Complexed with a Covalent Inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-10-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	67.115, 82.950, 275.921
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.800 - 2.420
R-factor	0.1852
Rwork	0.183
R-free	0.23400
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.800	2.511
High resolution limit [Å]	2.420	2.425
Rmerge		0.660
Number of reflections	58044	5202
<I/σ(I)>	17.52	3.14
Completeness [%]	97.5
Redundancy	12.8
CC(1/2)	0.999	0.857

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.1 M Tris (pH 8.8), 15% (v/v) EtOH, 5mM CW7