4DSD

Crystal structure of a putative periplasmic protein (BACOVA_05534) from Bacteroides ovatus ATCC 8483 at 1.75 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-02-04
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 42 21 2
Unit cell lengths	107.381, 107.381, 63.010
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.892 - 1.750
R-factor	0.1793
Rwork	0.177
R-free	0.21450
Structure solution method	SAD
RMSD bond length	0.015
RMSD bond angle	1.593
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	SHELX
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.892	29.892	1.800
High resolution limit [Å]	1.750	7.830	1.750
Rmerge		0.075	0.689
Total number of observations		2573	19788
Number of reflections	37675
<I/σ(I)>	11.8	8.6	1.1
Completeness [%]	99.9	93	100
Redundancy	7.2	5.6	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	5.0% polyethylene glycol 6000, 0.1M citric acid pH 5.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K