5Q0C

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-bromo-1,3-thiazol-2-yl)-3-[5-(4-methoxyphenyl)thiophen-2-yl]sulfonylurea and with fructose-2,6-diphosphate

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	2006-06-12
Detector	MAR CCD 165 mm
Wavelength(s)	0.987
Spacegroup name	C 2 2 21
Unit cell lengths	222.475, 240.518, 138.979
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.793 - 2.400
R-factor	0.1703
Rwork	0.168
R-free	0.21030
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.960
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall
Low resolution limit [Å]	29.793
High resolution limit [Å]	2.400
Number of reflections	141184
Completeness [%]	97.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP			entry deposited much later from experimental date, thus exact crystallization details not known