1R66

Crystal Structure of DesIV (dTDP-glucose 4,6-dehydratase) from Streptomyces venezuelae with NAD and TYD bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	94
Detector technology	CCD
Collection date	2002-12-04
Detector	SBC-3
Wavelength(s)	0.97930
Spacegroup name	P 21 21 2
Unit cell lengths	75.501, 99.799, 42.187
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.440
R-factor	0.177 *
Rwork	0.176
R-free	0.23100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bxk
RMSD bond length	0.013
RMSD bond angle	15.400 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	TNT (5E)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.490
High resolution limit [Å]	1.440	1.440
Rmerge	0.066 *	0.212 *
Number of reflections	56518	5618 *
<I/σ(I)>	26.4	6.8
Completeness [%]	98.6	99.9
Redundancy	5.5	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Batch method *	6.5 *	4 *	PEG 8000, magnesium acetate tetrahydrate, sodium cacodylate, pH 6.3, Batch, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	protein	10 (mg/ml)
2	1	1	PEG8000	20 (%)
3	1	1	magnesium acetate tetrahydrate	200 (mM)
4	1	1	sodium cacodylate	100 (mM)	pH6.5
5	1	2	PEG8000	7 (%)
6	1	2	magnesium acetate tetrahydrate	100 (mM)
7	1	2	sodium cacodylate	100 (mM)	pH6.3