3UQD

Crystal structure of the Phosphofructokinase-2 from Escherichia coli in complex with substrates and products

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-07-25
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.45
Spacegroup name	C 2 2 21
Unit cell lengths	69.885, 155.189, 224.989
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.790 - 2.140
R-factor	0.198
Rwork	0.195
R-free	0.25500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3cqd
RMSD bond length	0.006
RMSD bond angle	0.875
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]	20.000		2.270
High resolution limit [Å]	2.140	6.150	2.140
Rmerge	0.088	0.037	0.625
Number of reflections	64935
<I/σ(I)>	11.35	28.11	2.24
Completeness [%]	96.1	94.8	88.6

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