3L86

The Crystal Structure of smu.665 from Streptococcus mutans UA159

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BSRF BEAMLINE 3W1A
Synchrotron site	BSRF
Beamline	3W1A
Temperature [K]	100
Detector technology	CCD
Collection date	2007-07-19
Detector	MAR CCD 165 mm
Wavelength(s)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	57.190, 94.760, 47.580
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.930 - 2.060
R-factor	0.21582
Rwork	0.213
R-free	0.26690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gs5
RMSD bond length	0.024
RMSD bond angle	2.527
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0066)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.180
High resolution limit [Å]	2.060	2.060
Number of reflections	16492
Completeness [%]	99.4	97.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	28% (W/V) PEG 4000, 0.2M Sodium acetate, 0.1M Tris-HCL pH8.0, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K