3OQQ

Crystal structure of a Putative lipoprotein (BACOVA_00967) from Bacteroides ovatus at 2.08 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-07-22
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97903
Spacegroup name	C 1 2 1
Unit cell lengths	88.640, 118.580, 49.330
Unit cell angles	90.00, 110.41, 90.00

Refinement procedure

Resolution	25.750 - 2.080
R-factor	0.1633
Rwork	0.161
R-free	0.20390
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.080
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]	44.623	44.600	2.150
High resolution limit [Å]	2.080	4.470	2.080
Rmerge	0.109	0.046	0.567
Number of reflections	28606	2921	2722
<I/σ(I)>	9.31	25	2.1
Completeness [%]	99.5	99.3	99.9
Redundancy	3.8	3.8	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	277	0.2M Ca(OAc)2, 20.0% PEG-1000, 0.1M Imidazole pH 8.0, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K, VAPOR DIFFUSION, SITTING DROP
2	VAPOR DIFFUSION, SITTING DROP	8	277	0.2M Ca(OAc)2, 20.0% PEG-1000, 0.1M Imidazole pH 8.0, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K, VAPOR DIFFUSION, SITTING DROP