5CAG

Crystal structure of a putative adhesin (BACOVA_02677) from Bacteroides ovatus ATCC 8483 at 3.00 A resolution (PSI Community Target, Nakayama)

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-07-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9116,0.9794,0.9792
Spacegroup name	P 65 2 2
Unit cell lengths	98.391, 98.391, 217.037
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.195 - 3.000
R-factor	0.1861
Rwork	0.185
R-free	0.20740
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.270
Data reduction software	XDS
Data scaling software	XSCALE (January 10, 2014 BUILT=20140307)
Phasing software	SHELX
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.195		3.110
High resolution limit [Å]	3.000	6.630	3.000
Rmerge	0.092	0.033	1.378
Rmeas	0.098	0.035	1.456
Total number of observations	125002
Number of reflections	13098	1379	1303
<I/σ(I)>	18.18	49.2	1.6
Completeness [%]	99.8	99.1	100
Redundancy	9.491

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	10.5	277	0.2000M lithium sulfate, 2.0000M ammonium sulfate, 0.1M CAPS pH 10.5