1ZCC

Crystal structure of glycerophosphodiester phosphodiesterase from Agrobacterium tumefaciens str.C58

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	CCD
Collection date	2005-03-05
Detector	ADSC QUANTUM 315
Wavelength(s)	1.1
Spacegroup name	P 1 21 1
Unit cell lengths	78.560, 140.220, 88.600
Unit cell angles	90.00, 90.53, 90.00

Refinement procedure

Resolution	45.170 - 2.500
R-factor	0.244
Rwork	0.244
R-free	0.28100
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.400
Data scaling software	HKL-2000
Phasing software	SHELXD
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.490
High resolution limit [Å]	2.400	2.400
Number of reflections	75568
<I/σ(I)>	14.7
Completeness [%]	99.6	98.1
Redundancy	7.4	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	Ammonium sulfate, PEG8K, HEPES, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
1	VAPOR DIFFUSION, SITTING DROP	7	293	Ammonium sulfate, PEG8K, HEPES, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
1	VAPOR DIFFUSION, SITTING DROP	7	293	Ammonium sulfate, PEG8K, HEPES, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K