7WJV

Crystal structure of human liver FBPase complexed with an 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	2021-05-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.978
Spacegroup name	P 21 21 21
Unit cell lengths	67.641, 83.617, 278.717
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.453 - 1.724
R-factor	0.1746
Rwork	0.174
R-free	0.19840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zwk
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.453	1.750
High resolution limit [Å]	1.720	1.720
Number of reflections	167125	7923
<I/σ(I)>	8.5
Completeness [%]	99.8
Redundancy	13.2
CC(1/2)	0.992	0.770

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.8	291	0.1 M Tris (pH 6.8), 14% (v/v) EtOH, 7.5mM AMP