3L9D

The Crystal Structure of smu.1046c from Streptococcus mutans UA159

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR-H
Temperature [K]	100
Detector technology	CCD
Collection date	2009-04-20
Detector	BRUKER SMART 6000
Wavelength(s)	1.54
Spacegroup name	C 1 2 1
Unit cell lengths	86.006, 103.327, 64.008
Unit cell angles	90.00, 115.51, 90.00

Refinement procedure

Resolution	38.810 - 2.484
R-factor	0.196
Rwork	0.189
R-free	0.26400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2be3
RMSD bond length	0.009
RMSD bond angle	1.127
Data reduction software	PROTEUM PLUS (PLUS)
Data scaling software	PROTEUM PLUS (PLUS)
Phasing software	MOLREP
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.060
High resolution limit [Å]	2.484	2.484
Number of reflections	17850

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	8% PEG 1000, 0.1mM KCl, 0.1mM HEPES Na pH 7.0, 0.02mM MgCl2 , VAPOR DIFFUSION, SITTING DROP, temperature 289K