4N0P

Crystal structure of a pilus assembly protein CpaE (CC_2943) from Caulobacter crescentus CB15 at 1.75 A resolution (PSI Community Target, Shapiro)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-01-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	65.600, 112.780, 73.880
Unit cell angles	90.00, 94.12, 90.00

Refinement procedure

Resolution	47.271 - 1.750
R-factor	0.182
Rwork	0.181
R-free	0.20540
Structure solution method	SIRAS
RMSD bond length	0.010
RMSD bond angle	0.930
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]	47.271	47.271	1.800
High resolution limit [Å]	1.750	7.830	1.750
Rmerge	0.057	0.033	0.797
Number of reflections	105477	1238	7796
<I/σ(I)>	13.4	35.5	1.7
Completeness [%]	97.8	97.9	97.7
Redundancy	3.8	3.9	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	295	25% PEG 1000; 0.2M Ammonium Acetate, 0.1M TRIS pH 8.0, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 295K
2