1KBZ

Crystal Structure of apo-dTDP-6-deoxy-L-lyxo-4-hexulose reductase (RmlD) from Salmonella enterica serovar Typhimurium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2001-05-01
Detector	ADSC QUANTUM 4
Wavelength(s)	0.934
Spacegroup name	P 21 21 2
Unit cell lengths	47.533, 71.901, 82.158
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	81.650 - 2.210 *
R-factor	0.192
Rwork	0.189
R-free	0.25600
Structure solution method	MAD
RMSD bond length	0.014 *
RMSD bond angle	1.520 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	SOLVE
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.230	2.270
High resolution limit [Å]	2.210	2.210
Rmerge	0.072	0.249
Total number of observations	171243 *
Number of reflections	14547
<I/σ(I)>	4.7	2.9
Completeness [%]	99.4	92
Redundancy	11.8	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.1 *	298	HEPES, PEG 4000, magnesium chloride, pH 8.0, VAPOR DIFFUSION, SITTING DROP at 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	22 (%(w/v))
2	1	reservoir	HEPES	0.1 (M)	pH7.1
3	1	reservoir		0.2 (M)
4	1	reservoir	dithiothreitol	4 (mM)
5	1	reservoir	NADPH	2.5 (mM)