3FCM

Crystal structure of a NUDIX hydrolase from Clostridium perfringens

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	100
Detector technology	CCD
Collection date	2008-11-12
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9788
Spacegroup name	P 21 21 2
Unit cell lengths	80.395, 132.459, 41.361
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.480 - 2.200
R-factor	0.229
Rwork	0.229
R-free	0.28000
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	1.300
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]	39.480	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.081	0.512
Number of reflections	18331
<I/σ(I)>	15.2	2
Completeness [%]	78.6
Redundancy	10.1	8.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	298	0.2M Lithium sulfate monohydrate, 0.1M Bis-Tris 25% PEG 3350, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K