3CT7

Crystal structure of D-allulose 6-phosphate 3-epimerase from Escherichia Coli K-12

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	2005-03-11
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97915
Spacegroup name	P 21 21 21
Unit cell lengths	75.462, 129.209, 154.451
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.900 - 2.500
R-factor	0.222
Rwork	0.222
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fli
RMSD bond length	0.008
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	EPMR
Refinement software	CNS (1.0)

Data quality characteristics

	Overall
Low resolution limit [Å]	25.000
High resolution limit [Å]	2.500
Rmerge	0.053
Number of reflections	48811
Completeness [%]	93.4
Redundancy	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.05M ammonium sulfate, 0.05M Bis-Tris, 30% Pentaerythritol ethoxylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K