6LS5

Structure of human liver FBPase complexed with covalent allosteric 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	2019-01-01
Detector	PSI PILATUS 6M
Wavelength(s)	1.06
Spacegroup name	P 21 21 21
Unit cell lengths	67.599, 83.523, 276.929
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.842 - 2.031
R-factor	0.1963
Rwork	0.194
R-free	0.23730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zwk
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.842	2.041
High resolution limit [Å]	2.031	2.031
Number of reflections	1353784	12417
<I/σ(I)>	11.34	2.29
Completeness [%]	99.7
Redundancy	8.4
CC(1/2)	0.996	0.765

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	291	0.05 M Tris (pH 6.8), 10% (v/v) polyethylene glycol 8000