3EPR

Crystal structure of putative HAD superfamily hydrolase from Streptococcus agalactiae.

Experimental procedure

Experimental method	SAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2008-08-15
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	I 2 2 2
Unit cell lengths	82.367, 82.954, 99.604
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.550
R-factor	0.18
Rwork	0.179
R-free	0.20900
RMSD bond length	0.016
RMSD bond angle	1.561
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELXD
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.610
High resolution limit [Å]	1.550	1.550
Rmerge	0.103	0.645
Number of reflections	48500
<I/σ(I)>	29.6	2.64
Completeness [%]	97.1	91.4
Redundancy	10.5	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	0.1 M Bis-Tris pH 6.5, 25% PEG3350, 0.2 M Ammonium Acetate, Vapor diffusion, Sitting drop, temperature 298K, VAPOR DIFFUSION, SITTING DROP
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	0.1 M Bis-Tris pH 6.5, 25% PEG3350, 0.2 M Ammonium Acetate, Vapor diffusion, Sitting drop, temperature 298K, VAPOR DIFFUSION, SITTING DROP