3CTL

Crystal structure of D-Allulose 6-Phosphate 3-Epimerase from Escherichia coli K12 complexed with D-glucitol 6-phosphate and magnesium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2007-09-03
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97915
Spacegroup name	P 21 21 21
Unit cell lengths	75.706, 129.040, 154.874
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.960 - 2.200
R-factor	0.243
Rwork	0.243
R-free	0.26500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ct7
RMSD bond length	0.008
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	CNS (1.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	25.000
High resolution limit [Å]	2.200
Rmerge	0.067
Number of reflections	74982
Completeness [%]	96.5
Redundancy	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	293	20% PEG 3350, 0.1 M Succinic acid, pH 7.0, VAPOR DIFFUSION, temperature 293.0K