3N91

Crystal structure of a STRUCTURAL GENOMICS, UNKNOWN FUNCTION (BACOVA_03430) from Bacteroides ovatus at 2.40 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	2010-05-13
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97918,0.97932,0.91837
Spacegroup name	P 64
Unit cell lengths	138.074, 138.074, 47.632
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.195 - 2.400
R-factor	0.183
Rwork	0.181
R-free	0.22000
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.613
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.195	45.195	2.490
High resolution limit [Å]	2.400	5.140	2.400
Rmerge	0.137	0.013	0.013
Number of reflections	20195	2106	2120
<I/σ(I)>	10.75	22.2	2.2
Completeness [%]	97.9	95.5	99.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	0.200000000M Ca(OAc)2, 40.000000000% PEG-600, 0.1M Cacodylate pH 6.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K