3UMO

Crystal structure of the Phosphofructokinase-2 from Escherichia coli in complex with Potassium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2010-09-09
Detector	PSI PILATUS 6M
Wavelength(s)	0.97627
Spacegroup name	P 2 2 21
Unit cell lengths	43.812, 88.770, 176.120
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.967 - 1.696
R-factor	0.1828
Rwork	0.181
R-free	0.20790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3cqd
RMSD bond length	0.011
RMSD bond angle	1.297
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.7.2_869)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.800
High resolution limit [Å]	1.696	5.060	1.696
Rmerge	0.051	0.026	0.590
Number of reflections	76251	3105	12064
<I/σ(I)>	15.06	40.58	2.04
Completeness [%]	98.8	97.6	98.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.75	291	23% PEG 4000, 0.1 M SODIUM ACETATE PH 4.75, 0.2 M AMMONIUM ACETATE, vapor diffusion, hanging drop, temperature 291K