1EP0

HIGH RESOLUTION CRYSTAL STRUCTURE OF DTDP-6-DEOXY-D-XYLO-4-HEXULOSE 3,5-EPIMERASE FROM METHANOBACTERIUM THERMOAUTOTROPHICUM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-D
Synchrotron site	APS
Beamline	14-BM-D
Temperature [K]	100
Detector technology	CCD
Collection date	2000-02-24
Detector	ADSC QUANTUM 4
Spacegroup name	C 1 2 1
Unit cell lengths	67.720, 53.131, 51.667
Unit cell angles	90.00, 96.61, 90.00

Refinement procedure

Resolution	25.660 - 1.500
R-factor	0.183
Rwork	0.183
R-free	0.21000
RMSD bond length	0.015 *
RMSD bond angle	27.600 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASES
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.550
High resolution limit [Å]	1.500	1.500
Rmerge	0.039	0.105
Number of reflections	29180
<I/σ(I)>	37.3
Completeness [%]	99.7	99.5 *
Redundancy	8	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	22 *	10 % Polyethylene glycol 4K, 0.1 M Sodium Acetate , pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 20K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	10 (%)
2	1	reservoir	sodium acetate	100 (mM)