1KEP

The crystal structure of dTDP-D-glucose 4,6-dehydratase (RmlB) from Streptococcus suis with dTDP-xylose bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.6
Synchrotron site	SRS
Beamline	PX9.6
Temperature [K]	100
Detector technology	CCD
Collection date	2001-06-04
Detector	ADSC QUANTUM 4
Wavelength(s)	0.870
Spacegroup name	P 21 21 21
Unit cell lengths	62.449, 97.182, 185.471
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	91.300 * - 1.800
R-factor	0.145 *
Rwork	0.145
R-free	0.17238
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB 1G1A
RMSD bond length	0.007 *
RMSD bond angle	1.280 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	AMoRE
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	91.300	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.079 *	0.291 *
Total number of observations	340418 *
Number of reflections	102080 *	12822 *
<I/σ(I)>	6.9	2.5
Completeness [%]	97.0	85.1
Redundancy	3.3	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	5.4	293	used microseeding *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	3.6 (mg/ml)
2	1	drop	dithiothreitol	2.5 (mM)
3	1	drop	NAD+	4 (mM)
4	1	drop	dTDP-xylose	7 (mM)
5	1	reservoir	PEG4000	35 (%(w/v))
6	1	reservoir	citric acid	0.1 (M)	pH5.4
7	1	reservoir	ammonium sulfate	0.3 (M)