3L7X

The Crystal Structure of SMU.412c from Streptococcus mutans UA159

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-6A
Synchrotron site	Photon Factory
Beamline	BL-6A
Temperature [K]	100
Detector technology	CCD
Collection date	2008-11-06
Detector	ADSC QUANTUM 4r
Wavelength(s)	1.00
Spacegroup name	P 41 21 2
Unit cell lengths	53.348, 53.348, 141.059
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.274 - 1.699
R-factor	0.1901
Rwork	0.188
R-free	0.21290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1y23
RMSD bond length	0.021
RMSD bond angle	1.875
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.760
High resolution limit [Å]	1.699	1.699
Number of reflections	23340
Completeness [%]	99.9	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	2.8M Sodium acetate trihydrate pH7.0, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K