1R6D

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	AREA DETECTOR
Collection date	2003-08-13
Detector	SIEMENS HI-STAR
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	71.700, 99.400, 42.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.350
R-factor	0.176
Rwork	0.174
R-free	0.21600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1r66
RMSD bond length	0.014
RMSD bond angle	15.300 *
Data reduction software	XSCALIBRE
Data scaling software	XSCALIBRE
Phasing software	AMoRE
Refinement software	TNT

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.410
High resolution limit [Å]	1.350	1.350
Rmerge	0.040 *	0.223 *
Number of reflections	61664	6573 *
<I/σ(I)>	17.3	2
Completeness [%]	91.9	81
Redundancy	3.6	1.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.5	4 *	Peg 8000, magnesium chloride, cacodylate, pH 6.5, Batch macro-seeding, temperature 277K

Crystallization Reagents in Literatures

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