5HR5

Bovine Heart 6-Phosphofructo-2-Kinase/Fructose-2,6-Bisphosphatase (PFKFB2)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CAMD BEAMLINE GCPCC
Synchrotron site	CAMD
Beamline	GCPCC
Temperature [K]	80
Detector technology	CCD
Collection date	2014-06-01
Detector	MAR CCD 165 mm
Wavelength(s)	1.381
Spacegroup name	C 2 2 21
Unit cell lengths	82.116, 169.482, 85.254
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.820
R-factor	0.1398
Rwork	0.139
R-free	0.16180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1k6m
RMSD bond length	0.009
RMSD bond angle	1.099
Data reduction software	DENZO
Data scaling software	HKL-2000
Refinement software	PHENIX ((1.10pre_2100))

Data quality characteristics

	Overall
Low resolution limit [Å]	46.540
High resolution limit [Å]	1.820
Number of reflections	52151
<I/σ(I)>	2.62
Completeness [%]	97.2
Redundancy	10.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	1:1 mixture of protein sample to a mother liquor, pH 7.5 100mM HEPES, pH 7.0 0.5% tacsimate, 13-16% polyethylene glycol 3350, and 3% dioxane.