3UFI

Crystal structure of a putative cell adhesion protein (BACOVA_04980) from Bacteroides ovatus ATCC 8483 at 2.18 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
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	2011-10-15
Detector	ADSC QUANTUM 315
Spacegroup name	P 63
Unit cell lengths	176.660, 176.660, 51.171
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.278 - 2.180
R-factor	0.1788
Rwork	0.178
R-free	0.20190
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.140
Data reduction software	XDS
Data scaling software	XSCALE (December 6, 2010)
Phasing software	SHELX
Refinement software	BUSTER-TNT (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.278	44.280	2.260
High resolution limit [Å]	2.180	4.680	2.180
Rmerge	0.131	0.064	1.080
Number of reflections	48085	5027	4854
<I/σ(I)>	11.34	27.1	2.1
Completeness [%]	99.9	99.8	99.7
Redundancy	7.74		7.71

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	277	2.4M ammonium sulfate, 0.1M Bicine pH 9.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K