5FA0

The structure of the beta-3-deoxy-D-manno-oct-2-ulosonic acid transferase domain from WbbB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-05-07
Detector	RAYONIX MX300HE
Wavelength(s)	0.97836
Spacegroup name	P 21 21 21
Unit cell lengths	82.930, 82.930, 120.710
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.465 - 2.300
R-factor	0.1868
Rwork	0.185
R-free	0.22850
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	0.636
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.360
High resolution limit [Å]	2.300	2.300
Rmerge		0.930
Number of reflections	71295
<I/σ(I)>	19.1	2.2
Completeness [%]	99.8	100
Redundancy	5.8	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	10 mg/ml WbbB, 0.2M MgCl2, 0.1 M Tris.HCl, 25 % PEG 4000, 10 mM tris(2-carboxyethyl)phosphine