2P76

Crystal structure of a Glycerophosphodiester Phosphodiesterase from Staphylococcus aureus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2006-02-15
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97915
Spacegroup name	P 31 2 1
Unit cell lengths	115.164, 115.164, 451.335
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.970 - 2.600
R-factor	0.249
Rwork	0.249
R-free	0.26500
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELXS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	25.000
High resolution limit [Å]	2.600
Rmerge	0.053
Number of reflections	98343
<I/σ(I)>	26.4
Completeness [%]	91.0
Redundancy	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	1.3 M Sodium citrate, 0.1 M Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K