2GU1

Crystal structure of a zinc containing peptidase from vibrio cholerae

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	100
Detector technology	CCD
Collection date	2006-04-17
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0059, 1.0094
Spacegroup name	P 1 21 1
Unit cell lengths	49.382, 85.396, 53.404
Unit cell angles	90.00, 112.96, 90.00

Refinement procedure

Resolution	32.240 - 1.900
R-factor	0.23
Rwork	0.230
R-free	0.26400
Structure solution method	MAD
RMSD bond length	0.006
RMSD bond angle	1.500
Data reduction software	HKL-2000
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	1.970
High resolution limit [Å]	1.900	1.900
Number of reflections	31988
<I/σ(I)>	12.1
Completeness [%]	92.7	52
Redundancy	4.5	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	0.1 Tris, 20% PEG4000, 0.2M ammonium sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	0.1 Tris, 20% PEG4000, 0.2M ammonium sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K