3KC0

Crystal structure of human liver FBPase in complex with tricyclic inhibitor 10b

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	93
Detector technology	CCD
Collection date	2003-11-13
Detector	ADSC QUANTUM 210
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	67.246, 82.820, 276.631
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.910 - 2.800
Rwork	0.205
R-free	0.25400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fta
RMSD bond length	0.007
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNX (2000.1)
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	2.900
High resolution limit [Å]	2.800	6.030	2.800
Rmerge	0.103	0.057	0.303
Number of reflections	39154
<I/σ(I)>	10.1
Completeness [%]	99.9	99.9	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	295	8-10% PEG 3350, 0.15M NaCl, 0.1M Tris/HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K