3OJO

Derivative structure of the UDP-N-acetyl-mannosamine dehydrogenase Cap5O from S. aureus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2008-12-13
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.2525
Spacegroup name	P 21 21 21
Unit cell lengths	40.220, 131.497, 158.820
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.630 - 2.500
R-factor	0.2035
Rwork	0.201
R-free	0.24560
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.280
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	BUSTER (2.8.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.640
High resolution limit [Å]	2.500	2.500
Rmerge	0.089	0.571
Number of reflections	30070
<I/σ(I)>	14.4	2.2
Completeness [%]	99.7	98.3
Redundancy	6.6	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	290	15mg/ml CAP5O, 5mM NAD, 50mM Eu(PDC)3, 32% PEG 4000, 0.2M sodium acetate, 0.1M Tris-HCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 290K