3TDQ

Crystal structure of a fimbrial biogenesis protein PilY2 (PilY2_PA4555) from Pseudomonas aeruginosa PAO1 at 2.10 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	2011-07-20
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97901,0.91162,0.97876
Spacegroup name	P 21 21 21
Unit cell lengths	51.156, 53.582, 76.667
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.556 - 2.100
R-factor	0.1882
Rwork	0.187
R-free	0.21500
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.060
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]	25.556	25.556	2.170
High resolution limit [Å]	2.100	4.510	2.100
Rmerge	0.049	0.024	0.330
Number of reflections	12753	2329	1968
<I/σ(I)>	10.94	28.4	2.4
Completeness [%]	97.4	95.5	86.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	15.00% Glycerol, 0.17M NH4OAc, 25.50% PEG-4000, 0.1M Acetate pH 4.6, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K