1KER

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2001-06-06
Detector	ADSC QUANTUM 4
Wavelength(s)	0.933
Spacegroup name	P 21 21 21
Unit cell lengths	61.225, 96.151, 182.888
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.700 - 2.200
R-factor	0.175 *
Rwork	0.175
R-free	0.20600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB 1G1A
RMSD bond length	0.005
RMSD bond angle	22.152 *
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]	49.700	2.320
High resolution limit [Å]	2.200	2.200
Rmerge	0.112 *	0.284 *
Total number of observations	179806 *
Number of reflections	55517	8000 *
<I/σ(I)>	5.7	2.6
Completeness [%]	99.8	99.9
Redundancy	3.2	3.3

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-D-glucose	15 (mM)
5	1	drop	thymidine 5'-diphosphate	15 (mM)
6	1	reservoir	PEG8000	30 (%(w/v))
7	1	reservoir	ammonium sulfate	0.2 (M)
8	1	reservoir	sodium cacodylate	0.1 (M)	pH5.4