1KEW

The crystal structure of dTDP-D-glucose 4,6-dehydratase (RmlB) from Salmonella enterica serovar Typhimurium with thymidine diphosphate bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX14.2
Synchrotron site	SRS
Beamline	PX14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2001-06-04
Detector	ADSC QUANTUM 4
Wavelength(s)	0.978
Spacegroup name	P 61
Unit cell lengths	169.897, 169.897, 92.834
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.300 * - 1.800
R-factor	0.205 *
Rwork	0.205
R-free	0.22100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1g1a
RMSD bond length	0.009
RMSD bond angle	22.201 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.300	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.053 *	0.185 *
Total number of observations	549500 *
Number of reflections	140877	20513 *
<I/σ(I)>	8.7	4.1
Completeness [%]	99.9	99.9
Redundancy	3.9	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.3 *	293	0.1M MES pH 6.32, 1.5M lithium sulphate, VAPOR DIFFUSION, HANGING DROP at 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	4 (mg/ml)
2	1	drop	dithiothreitol	2.5 (mM)
3	1	drop	NAD+	4 (mM)
4	1	drop	dTDP	10 (mM)
5	1	reservoir	MES	0.1 (M)	pH6.3
6	1	reservoir	lithium sulfate	1.5 (M)