1EPZ

CRYSTAL STRUCTURE OF DTDP-6-DEOXY-D-XYLO-4-HEXULOASE 3,5-EPIMERASE FROM METHANOBACTERIUM THERMOAUTOTROPHICUM WITH BOUND LIGAND.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-03-28
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	68.156, 53.486, 51.462
Unit cell angles	90.00, 97.22, 90.00

Refinement procedure

Resolution	9.990 - 1.750
R-factor	0.196
Rwork	0.196
R-free	0.22500
RMSD bond length	0.005
RMSD bond angle	25.700 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.810
High resolution limit [Å]	1.750	1.750
Rmerge	0.041 *	0.295 *
Number of reflections	17671
<I/σ(I)>	24
Completeness [%]	95.2 *	92
Redundancy	4	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)