1G1A

THE CRYSTAL STRUCTURE OF DTDP-D-GLUCOSE 4,6-DEHYDRATASE (RMLB)FROM SALMONELLA ENTERICA SEROVAR TYPHIMURIUM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX7.2
Synchrotron site	SRS
Beamline	PX7.2
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-07-07
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	110.623, 87.533, 111.304
Unit cell angles	90.00, 98.04, 90.00

Refinement procedure

Resolution	40.800 - 2.470
R-factor	0.204
Rwork	0.202
R-free	0.24900
RMSD bond length	0.009
RMSD bond angle	22.430 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.800	2.560
High resolution limit [Å]	2.470	2.470
Rmerge	0.070	0.358
Total number of observations	201143 *
Number of reflections	67669
<I/σ(I)>	9.5
Completeness [%]	90.4	72.9
Redundancy	3	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.3	293	0.1M MES, 1.5M lithium Sulfate, pH 6.3, VAPOR DIFFUSION, SITTING DROP, temperature 293K
1	VAPOR DIFFUSION, SITTING DROP	6.3	293	0.1M MES, 1.5M lithium Sulfate, pH 6.3, VAPOR DIFFUSION, SITTING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	4 (mg/ml)
2	1	drop	NAD+	2.5 (mM)
3	1	drop	dithiothreitol	4 (mM)
4	1	reservoir	MES	0.1 (M)
5	1	reservoir	lithium sulphate	1.5 (M)