3R4R

Crystal structure of a fimbrial assembly protein (BDI_3522) from Parabacteroides distasonis ATCC 8503 at 2.38 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-11-05
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97954,0.97936
Spacegroup name	P 21 21 21
Unit cell lengths	72.983, 84.801, 113.599
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.492 - 2.380
R-factor	0.2266
Rwork	0.226
R-free	0.24490
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 (2.8.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	36.492		2.460
High resolution limit [Å]	2.380	5.100	2.380
Rmerge	0.066	0.024	0.884
Number of reflections	28498	3068	2609
<I/σ(I)>	13.97	38	1.6
Completeness [%]	97.9	97.2	97.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	10.4	293	2.32M ammonium sulfate, 0.2M lithium sulfate, 0.1M CAPS pH 10.4, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K