3LJY

Crystal structure of putative adhesin (YP_001304413.1) from Parabacteroides distasonis ATCC 8503 at 2.41 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	2009-07-07
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97925,0.97876
Spacegroup name	P 1 2 1
Unit cell lengths	65.951, 55.330, 120.613
Unit cell angles	90.00, 105.40, 90.00

Refinement procedure

Resolution	29.761 - 2.410
R-factor	0.191
Rwork	0.189
R-free	0.22500
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.513
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.761	29.770	2.470
High resolution limit [Å]	2.410	10.780	2.410
Rmerge	0.070	0.028	0.598
Total number of observations		1016	4459
Number of reflections	32190
<I/σ(I)>	10.8	29.3	1.6
Completeness [%]	98.1	93	83.6
Redundancy	2.9	2.8	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	22.0000% polyethylene glycol 6000, 1.0000M lithium chloride, 0.1M TRIS pH 7.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K