3UMP

Crystal structure of the Phosphofructokinase-2 from Escherichia coli in complex with Cesium and ATP

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	43.856, 88.914, 176.405
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.046 - 1.849
R-factor	0.1739
Rwork	0.172
R-free	0.20870
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.369
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	1.960
High resolution limit [Å]	1.849	5.520	1.849
Rmerge	0.052	0.035	0.460
Number of reflections	109841	3983	17693
<I/σ(I)>	10.48	25.24	2.07
Completeness [%]	96.4	93.3	96.2

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