3CGX

Crystal structure of putative nucleotide-diphospho-sugar transferase (YP_389115.1) from Desulfovibrio desulfuricans G20 at 1.90 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-02-21
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97908
Spacegroup name	P 21 21 21
Unit cell lengths	56.520, 66.940, 71.670
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.800 - 1.900
R-factor	0.173
Rwork	0.171
R-free	0.21200
Structure solution method	SAD
RMSD bond length	0.017
RMSD bond angle	1.553
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.4.0067)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.800	28.800	1.970
High resolution limit [Å]	1.900	4.080	1.900
Rmerge	0.048	0.023	0.455
Number of reflections	22017	3996	4164
<I/σ(I)>	10.72	27.7	1.95
Completeness [%]	98.8	95	97.6
Redundancy	3.57

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	NANODROP, 20.0% Glycerol, 0.04M KH2PO4, 16.0% PEG 8000, No Buffer, VAPOR DIFFUSION, SITTING DROP, temperature 277K