3PFO

Crystal structure of a putative acetylornithine deacetylase (RPA2325) from RHODOPSEUDOMONAS PALUSTRIS CGA009 at 1.90 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-01-24
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97927,0.97913
Spacegroup name	P 1 21 1
Unit cell lengths	87.074, 48.823, 111.879
Unit cell angles	90.00, 111.02, 90.00

Refinement procedure

Resolution	29.584 - 1.900
R-factor	0.1731
Rwork	0.171
R-free	0.20420
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.418
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.584	29.584	1.970
High resolution limit [Å]	1.900	4.080	1.900
Rmerge	0.048	0.016	0.492
Number of reflections	68415	13034	13137
<I/σ(I)>	11.39	35.7	1.76
Completeness [%]	95.9	95	94.4
Redundancy	2.94

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.6	277	0.2M NH4Formate, 20.0% PEG-3350, No Buffer pH 6.6, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K