3EJK

Crystal structure of dTDP Sugar Isomerase (YP_390184.1) from DESULFOVIBRIO DESULFURICANS G20 at 1.95 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-08-10
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162,0.97911,0.97932
Spacegroup name	C 2 2 21
Unit cell lengths	81.790, 86.510, 51.340
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.722 - 1.950
R-factor	0.171
Rwork	0.169
R-free	0.21700
Structure solution method	MAD
RMSD bond length	0.012
RMSD bond angle	1.721
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SOLVE
Refinement software	REFMAC (5.4.0067)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.722	29.722	2.020
High resolution limit [Å]	1.950	4.190	1.950
Rmerge	0.102	0.033	0.497
Number of reflections	13593	2563	2516
<I/σ(I)>	7.09	19.4	1.7
Completeness [%]	98.5	98.7	96.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	277	30.0000% PEG-6000, 0.1M Citrate pH 5.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K