4YGU

Crystal structure of a putative adhesin (BACEGG_01763) from Bacteroides eggerthii DSM 20697 at 2.20 A resolution

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	2014-07-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9792,0.9794,0.9116
Spacegroup name	P 21 21 21
Unit cell lengths	55.318, 101.555, 137.313
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.579 - 2.200
R-factor	0.2103
Rwork	0.209
R-free	0.24020
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.230
Data reduction software	XDS
Data scaling software	XDS (January 10, 2014 BUILT=20140307)
Phasing software	SHARP
Refinement software	BUSTER (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.579		2.280
High resolution limit [Å]	2.200	4.720	2.200
Rmerge	0.147	0.053	1.172
Rmeas	0.157	0.057	1.250
Total number of observations	322328
Number of reflections	40038	4296	3990
<I/σ(I)>	9.93	26.8	2.2
Completeness [%]	99.7	99.1	99.6
Redundancy	8.05

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.67	277	1.0M lithium chloride, 22% polyethylene glycol 6000, 0.2M NDSB-256, 0.1M TRIS pH 8.67