4K4K

Crystal structure of a putative cell adhesion protein (BACUNI_00621) from Bacteroides uniformis ATCC 8492 at 1.67 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	PIXEL
Collection date	2013-03-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91837,0.97941,0.97874
Spacegroup name	P 21 21 2
Unit cell lengths	59.398, 140.225, 53.450
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.320 - 1.670
R-factor	0.1881
Rwork	0.187
R-free	0.21660
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.050
Data reduction software	XDS
Data scaling software	XSCALE (July 4, 2012)
Phasing software	SHELX
Refinement software	BUSTER-TNT (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.320	45.320	1.710
High resolution limit [Å]	1.670	7.470	1.670
Rmerge	0.061	0.027	0.956
Number of reflections	52130	682	3804
<I/σ(I)>	12.32	50.3	1.7
Completeness [%]	98.8	98.6	99.6
Redundancy	3.66	3.5	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	40% polyethylene glycol 600, 0.1M sodium citrate pH 5.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K