3UP6

Crystal structure of a putative cell adhesion protein (BACOVA_04078) from Bacteroides ovatus ATCC 8483 at 2.80 A resolution

Experimental procedure

Experimental method	MAD
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	2011-09-09
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9793,0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	78.043, 91.138, 106.356
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.931 - 2.800
R-factor	0.2051
Rwork	0.203
R-free	0.24990
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.250
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]	45.931	45.930	2.900
High resolution limit [Å]	2.800	5.980	2.800
Rmerge	0.147	0.066	0.719
Number of reflections	18914	2064	1865
<I/σ(I)>	9.13	18.3	2.08
Completeness [%]	98.1	96.9	99.9
Redundancy	4.67		4.88

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.33	277	1.0M lithium chloride, 18.0% polyethylene glycol 6000, 0.1M sodium citrate - citric acid pH 5.33, Additive: 0.001 M iron (II) chloride, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K