3GIP

Crystal structure of N-acyl-D-Glutamate Deacylase from Bordetella Bronchiseptica complexed with zinc, acetate and formate ions.

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	2008-06-06
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97915
Spacegroup name	P 61 2 2
Unit cell lengths	90.988, 90.988, 507.134
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.950 - 1.500
R-factor	0.205
Rwork	0.205
R-free	0.21500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	BALBES
Refinement software	CNS (1.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	25.000
High resolution limit [Å]	1.500
Rmerge	0.074
Number of reflections	190443
Completeness [%]	95.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	2.0M sodium formate, 0.1M sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K