3SS9

Crystal structure of holo D-serine dehydratase from Escherichia coli at 1.97 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MPG/DESY, HAMBURG BEAMLINE BW6
Synchrotron site	MPG/DESY, HAMBURG
Beamline	BW6
Temperature [K]	100
Detector technology	CCD
Detector	MAR CCD 165 mm
Wavelength(s)	1.05
Spacegroup name	P 21 21 2
Unit cell lengths	143.160, 47.738, 72.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.840 - 1.970
R-factor	0.1728
Rwork	0.172
R-free	0.21590
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.401
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	DMMulti
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.000
High resolution limit [Å]	1.970	1.970
Number of reflections	35756
<I/σ(I)>	19.8	1.8
Completeness [%]	99.6	99.4
Redundancy	6.2	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	295	2.0 M sodium formate, 0.1 M imidazole/maleate buffer, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K