1Z1S

Crystal Structure of Putative Isomerase PA3332 from Pseudomonas aeruginosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2005-03-04
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9793
Spacegroup name	P 32 2 1
Unit cell lengths	54.713, 54.713, 92.121
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.400 - 1.490
R-factor	0.17152
Rwork	0.168
R-free	0.20492
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	1.423
Data scaling software	HKL-2000
Phasing software	HKL-3000
Refinement software	REFMAC (5.2.0000)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.400	1.540
High resolution limit [Å]	1.490	1.490
Rmerge	0.066	0.385
Number of reflections	25574
<I/σ(I)>	10	2.1
Completeness [%]	95.7	66.4
Redundancy	16.1	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	295	BIS-TRIS, Magnesium acetate, PEG3350, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 295K