3MVP

The Crystal Structure of a TetR/AcrR transcriptional regulator from Streptococcus mutans to 1.85A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2009-12-03
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9794
Spacegroup name	P 21 21 21
Unit cell lengths	50.490, 80.197, 110.630
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.810 - 1.850
R-factor	0.223
Rwork	0.221
R-free	0.25900
RMSD bond length	0.011
RMSD bond angle	1.097
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELX
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.920
High resolution limit [Å]	1.850	3.990	1.850
Rmerge	0.060	0.043	0.598
Number of reflections	39086
<I/σ(I)>	12.5
Completeness [%]	99.7	97.6	100
Redundancy	6	5.6	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8	298	20% PEG 3350, 0.2M Sodium acetate, pH 8.0, vapor diffusion, temperature 298K