4DAD

Crystal structure of a Putative pilus assembly-related protein (BPSS2195) from Burkholderia pseudomallei K96243 at 2.50 A resolution (PSI Community Target, Shapiro L.)

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	2011-12-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97947,0.91837,0.97894
Spacegroup name	P 31 2 1
Unit cell lengths	65.589, 65.589, 65.642
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.953 - 2.500
R-factor	0.1936
Rwork	0.191
R-free	0.25460
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.070
Data reduction software	XDS
Data scaling software	XSCALE (December 29, 2011)
Phasing software	SHELX
Refinement software	BUSTER-TNT (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.953	42.953	2.590
High resolution limit [Å]	2.500	5.350	2.500
Rmerge	0.064	0.032	0.643
Number of reflections	5865	658	559
<I/σ(I)>	16.22	34.8	2.56
Completeness [%]	98.7	97.9	97.4
Redundancy	4.77		4.83

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	2.00M (NH4)2SO4, 0.1M TRIS pH 8.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K