5FA1

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-07-10
Detector	RAYONIX MX-300
Wavelength(s)	0.97949
Spacegroup name	C 2 2 21
Unit cell lengths	92.750, 159.390, 120.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.046 - 2.100
R-factor	0.173
Rwork	0.171
R-free	0.20990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5fa0
RMSD bond length	0.005
RMSD bond angle	0.827
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.150
High resolution limit [Å]	2.100	2.100
Rmerge		0.640
Number of reflections	52154
<I/σ(I)>	13.3	2.85
Completeness [%]	100.0	100
Redundancy	7.2	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	10 mg/ml WbbB, 0.2 M NaCl, 0.1M Bis-Tris, 25% PEG 3350, 1 mM TCEP, 1mM CMP