3E59

Crystal structure of the PvcA (PA2254) protein from Pseudomonas aeruginosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	113
Detector technology	CCD
Collection date	2008-02-23
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	56.226, 132.530, 96.897
Unit cell angles	90.00, 97.93, 90.00

Refinement procedure

Resolution	30.000 - 2.100
R-factor	0.19955
Rwork	0.197
R-free	0.24618
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.191
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.053	0.314
Number of reflections	77408
<I/σ(I)>	16.5
Completeness [%]	93.6	0.618
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	9	293	41-45% PEG 1000, 35-50 mM KH2PO4, 100 mM TrisHCl, pH 9.0, VAPOR DIFFUSION, temperature 293K
1	VAPOR DIFFUSION	9	293	41-45% PEG 1000, 35-50 mM KH2PO4, 100 mM TrisHCl, pH 9.0, VAPOR DIFFUSION, temperature 293K
1	VAPOR DIFFUSION	9	293	41-45% PEG 1000, 35-50 mM KH2PO4, 100 mM TrisHCl, pH 9.0, VAPOR DIFFUSION, temperature 293K