3PAY

Crystal structure of a putative adhesin (BACOVA_04077) from Bacteroides ovatus at 2.50 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-09-16
Detector	ADSC Q315
Wavelength(s)	0.9537,0.9796,0.9793
Spacegroup name	P 1
Unit cell lengths	67.107, 78.776, 84.105
Unit cell angles	93.88, 102.08, 103.54

Refinement procedure

Resolution	29.465 - 2.500
R-factor	0.2151
Rwork	0.214
R-free	0.23940
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.150
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	BUSTER-TNT (BUSTER 2.8.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.465	29.465	2.590
High resolution limit [Å]	2.500	5.350	2.500
Rmerge	0.083	0.047	0.351
Number of reflections	54374	10781	8670
<I/σ(I)>	6.24	11	2
Completeness [%]	88.4	93.4	75.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	277	0.2000M calcium acetate, 10.0000% polyethylene glycol 8000, 0.1M Imidazole pH 8.0, 0.003 M S-adenosyl methionine (SAM), NANODROP', VAPOR DIFFUSION, SITTING DROP, temperature 277K