3B8P

Fragment of WzzB, Polysaccharide Co-polymerase from Salmonella Typhimurium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97910
Spacegroup name	C 1 2 1
Unit cell lengths	87.972, 112.744, 170.929
Unit cell angles	90.00, 97.34, 90.00

Refinement procedure

Resolution	29.240 - 3.100
R-factor	0.25699
Rwork	0.255
R-free	0.30149
Structure solution method	SAD
RMSD bond length	0.021
RMSD bond angle	2.394
Data scaling software	d*TREK (9.6L)
Phasing software	SHARP
Refinement software	REFMAC (refmac_5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.310	29.310	3.310
High resolution limit [Å]	3.000	6.870	3.000
Rmerge	0.072	0.044	0.334
Number of reflections	27458
<I/σ(I)>	13.9	24.7	4.5
Completeness [%]	99.9	99.8	100
Redundancy	7.36	7.13	7.46

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	298	200mM MgCl, 100mM Nacacodylate pH 6.5, 20%PEG 8000, vapor diffusion, temperature 298K