3ORJ

Crystal structure of a sugar-binding protein (BACOVA_04391) from Bacteroides ovatus at 2.16 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-06-09
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.93925,0.97939,0.97891
Spacegroup name	P 21 21 21
Unit cell lengths	58.456, 71.962, 120.806
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.372 - 2.160
R-factor	0.1972
Rwork	0.196
R-free	0.22860
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.120
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	BUSTER-TNT (BUSTER 2.8.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.372	45.370	2.240
High resolution limit [Å]	2.160	4.640	2.160
Rmerge	0.047	0.024	0.614
Number of reflections	26772	2977	2004
<I/σ(I)>	16.67	42.6	2
Completeness [%]	95.2	97.9	70.4
Redundancy	3.55

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	277	30.0% PEG-6000, 0.1M Bicine pH 9.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K