3LHL

Crystal structure of a putative agmatinase from Clostridium difficile

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2009-11-07
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	P 63 2 2
Unit cell lengths	77.350, 77.350, 166.118
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.680 - 2.300
R-factor	0.193
Rwork	0.193
R-free	0.23800
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	1.400
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]	38.680	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.094	0.232
Number of reflections	13323
<I/σ(I)>	12.4	2.5
Completeness [%]	99.8	100
Redundancy	37.9	37.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	0.2M Ammonium dihydrogen Phosphate, 0.1M Tris, 50% MPD, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K