3QPU

PFKFB3 in complex with PPi

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2009-07-01
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	P 65 2 2
Unit cell lengths	102.975, 102.975, 258.128
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.000 - 2.300
R-factor	0.187
Rwork	0.184
R-free	0.23594
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.024
RMSD bond angle	2.096
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC (5.5.0109)
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	2.340
High resolution limit [Å]	2.300	2.300
Number of reflections	34913
Completeness [%]	100.0	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	300	100 mM Tris-HCl,20-25% ethylene glycol, 200-400mM Tartaric Acid, 5% glycerol, and 12% polyethylene glycol 4000, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 300K