3L9F

The Crystal Structure of smu.1604c from Streptococcus mutans UA159

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	CCD
Collection date	2009-06-01
Detector	ADSC QUANTUM 270
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	51.857, 66.148, 115.679
Unit cell angles	90.00, 93.94, 90.00

Refinement procedure

Resolution	46.041 - 1.800
R-factor	0.2166
Rwork	0.216
R-free	0.24770
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	0.952
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELXS
Refinement software	PHENIX ((phenix.refine))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.830
High resolution limit [Å]	1.800	1.800
Number of reflections	72445
Completeness [%]	99.9	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	0.2M MgCl2, 0.1M HEPES pH7.0, 25% PEG 3350, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K