4DWE

Crystal structure of a putative polysaccharide deacetylase (BACOVA_03992) from Bacteroides ovatus ATCC 8483 at 2.01 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-02-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91837,0.9796,0.97925
Spacegroup name	P 21 21 21
Unit cell lengths	68.762, 72.975, 95.424
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.571 - 2.010
R-factor	0.1509
Rwork	0.149
R-free	0.19360
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.770
Data reduction software	XDS
Data scaling software	XSCALE (December 29, 2011)
Phasing software	SHELX
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.571		2.080
High resolution limit [Å]	2.010	4.320	2.010
Rmerge	0.094	0.037	0.437
Number of reflections	32317	6028	5721
<I/σ(I)>	7.17	19	1.8
Completeness [%]	97.0	96.6	95.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	0.17M sodium acetate, 25.5% polyethylene glycol 4000, 15.0% Glycerol, 0.1M tris hydrochloride pH 8.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K