3LWU

Crystal structure of Putative succinylglutamate desuccinylase/aspartoacylase (YP_749235.1) from Shewanella frigidimarinA NCIMB 400 at 2.10 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-11-07
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	F 2 2 2
Unit cell lengths	126.549, 128.972, 129.574
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.623 - 2.100
R-factor	0.162
Rwork	0.160
R-free	0.19000
Structure solution method	SAD
RMSD bond length	0.017
RMSD bond angle	1.536
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.623	29.623	2.170
High resolution limit [Å]	2.100	4.510	2.100
Rmerge	0.106	0.044	0.820
Number of reflections	30948	6017	5539
<I/σ(I)>	9.47	25.8	1.7
Completeness [%]	99.7	99.7	99.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	293	10.0000% Glycerol, 12.5000% polyethylene glycol 300, 0.2000M ammonium sulfate, 0.1M phosphate-citrate pH 4.5, 0.006 M zinc chloride, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K