3S2S

The crystal structure of pyrazinamidase/nicotinamidase from streptococcus mutans UA159

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	CCD
Collection date	2010-06-09
Detector	ADSC QUANTUM 315
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	76.490, 80.120, 130.960
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.977 - 1.700
R-factor	0.161
Rwork	0.160
R-free	0.19120
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.164
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.5_2))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.600
Number of reflections	205235
Completeness [%]	99.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	20%(v/v) MPD, 0.1M Sodium Cacodylylate trihydrate(pH 4.5) , VAPOR DIFFUSION, SITTING DROP, temperature 289K