9XV1

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

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-04-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97861
Spacegroup name	P 21 21 21
Unit cell lengths	67.672, 83.261, 279.635
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.620 - 1.960
R-factor	0.1857
Rwork	0.185
R-free	0.21300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.089
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]	48.620	2.030
High resolution limit [Å]	1.960	1.960
Number of reflections	114172	11277
<I/σ(I)>	5.75
Completeness [%]	99.8
Redundancy	13.1
CC(1/2)	0.984	0.849

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