3E48

Crystal structure of a nucleoside-diphosphate-sugar epimerase (SAV0421) from Staphylococcus aureus, Northeast Structural Genomics Consortium Target ZR319

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2008-07-29
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97902
Spacegroup name	P 21 21 21
Unit cell lengths	65.086, 67.188, 141.582
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.820 - 1.600
R-factor	0.185
Rwork	0.185
R-free	0.20500
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	1.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELX (then SOLVE/RESOLVE)
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.660
High resolution limit [Å]	1.600	1.600
Rmerge	0.054	0.149
Number of reflections	158683
<I/σ(I)>	28.5	5.1
Completeness [%]	82.6	52.7
Redundancy	5.1	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.1	291	Protein solution: 10 mM Tris (pH 7.5), 100 mM sodium chloride, and 5 mM DTT. Reservoir solution: 100 mM Tris-HCl (pH 9.1), 18% PEG 3350, and 100 mM magnesium sulphate., VAPOR DIFFUSION, HANGING DROP, temperature 291K