2AE3

Glutaryl 7-Aminocephalosporanic Acid Acylase: mutational study of activation mechanism

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 4A
Synchrotron site	PAL/PLS
Beamline	4A
Temperature [K]	100
Detector technology	CCD
Collection date	2005-05-23
Detector	ADSC QUANTUM 210
Wavelength(s)	0.95
Spacegroup name	P 41 21 2
Unit cell lengths	73.387, 73.387, 379.684
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.220 - 2.400
Rwork	0.183
R-free	0.22600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.345
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.064	0.280
Number of reflections	37992
Completeness [%]	90.1
Redundancy	6.5	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	295	PEG 3350, Tris, magnesium chloride, cacodylate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K