3URZ

Crystal structure of a putative protein binding protein (BACOVA_03105) from Bacteroides ovatus ATCC 8483 at 2.19 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	CCD
Collection date	2010-11-22
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.98021,0.97963
Spacegroup name	P 1 21 1
Unit cell lengths	30.703, 41.597, 236.878
Unit cell angles	90.00, 92.52, 90.00

Refinement procedure

Resolution	29.581 - 2.190
R-factor	0.2184
Rwork	0.217
R-free	0.23970
Structure solution method	MAD
RMSD bond length	0.011
RMSD bond angle	1.415
Data reduction software	XDS
Data scaling software	XSCALE (May 10, 2010)
Phasing software	SHELX
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.581	29.581	2.290
High resolution limit [Å]	2.190	4.740	2.210
Rmerge	0.035	0.022	0.451
Number of reflections	29857	5413	5529
<I/σ(I)>	10.96	28.2	2.1
Completeness [%]	93.3	89.8	94.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.93	277	0.20 M zinc acetate, 16.40 % polyethylene glycol 8000, 0.1M MES pH 5.93, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K