4OPW

Crystal structure of a putative adhesin (PARMER_02777) from Parabacteroides merdae ATCC 43184 at 1.75 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	2013-11-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91837,0.97949,0.97885
Spacegroup name	P 21 21 21
Unit cell lengths	59.860, 70.850, 118.830
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.529 - 1.750
R-factor	0.1723
Rwork	0.171
R-free	0.19820
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.170
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	BUSTER-TNT (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.529	29.529	1.810
High resolution limit [Å]	1.750	3.760	1.750
Rmerge	0.054	0.029	0.586
Number of reflections	50547	9526	8908
<I/σ(I)>	11.73	30.4	2
Completeness [%]	96.6	95.6	94.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.20M potassium chloride, 20.00% polyethylene glycol 3350, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K