5Q0A

Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(5-cyanopyrazin-2-yl)-3-[3-(difluoromethoxy)phenyl]sulfonylurea

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	CCD
Collection date	2007-12-21
Detector	MAR CCD 165 mm
Wavelength(s)	0.987
Spacegroup name	P 21 21 21
Unit cell lengths	68.611, 84.335, 279.525
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.145 - 2.300
R-factor	0.1884
Rwork	0.186
R-free	0.23600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.006
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall
Low resolution limit [Å]	29.145
High resolution limit [Å]	2.300
Number of reflections	73055
Completeness [%]	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	300	0.1M HEPES pH 7.0, 0.1M AMMONIUM ACETATE, 12% PEG 3350