3T2L

Crystal structure of a Putative cell adhesion protein (BF1858) from Bacteroides fragilis NCTC 9343 at 2.33 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-07-06
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 32 2 1
Unit cell lengths	87.285, 87.285, 101.476
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.571 - 2.330
R-factor	0.1775
Rwork	0.175
R-free	0.21920
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.080
Data reduction software	XDS
Data scaling software	XSCALE (December 6, 2010)
Phasing software	SHELX
Refinement software	BUSTER-TNT (2.8.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.571	28.570	2.410
High resolution limit [Å]	2.330	5.000	2.330
Rmerge	0.068	0.023	0.945
Number of reflections	19607	3759	3542
<I/σ(I)>	22.78	63.8	2.67
Completeness [%]	99.7	99.1	99.7
Redundancy	14.52

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	10.5	277	1.2M sodium dihydrogen phosphate, 0.8M di-potassium hydrogen phosphate, 0.2M lithium sulfate, 0.1M CAPS pH 10.5, NANODROP', VAPOR DIFFUSION, SITTING DROP, temperature 277K