5Q02

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-(1,2-oxazol-3-yl)thiophen-2-yl]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	2006-03-17
Detector	MAR CCD 165 mm
Wavelength(s)	0.987
Spacegroup name	P 21 21 21
Unit cell lengths	67.203, 83.311, 278.006
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.977 - 2.095
R-factor	0.1517
Rwork	0.149
R-free	0.19530
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.923
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall
Low resolution limit [Å]	19.977
High resolution limit [Å]	2.095
Number of reflections	91565
Completeness [%]	98.8

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