3VW0

Crystal Structure of The Dequalinum-bound Form of RamR (Transcriptional Regulator of TetR Family) From Salmonella Typhimurium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	CCD
Collection date	2011-11-23
Detector	RAYONIX MX225HE
Wavelength(s)	0.9000
Spacegroup name	C 1 2 1
Unit cell lengths	187.345, 43.551, 106.692
Unit cell angles	90.00, 100.21, 90.00

Refinement procedure

Resolution	38.150 - 2.600
R-factor	0.2263
Rwork	0.224
R-free	0.26680
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.020
RMSD bond angle	1.570
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.640
High resolution limit [Å]	2.600	7.050	2.600
Rmerge	0.072	0.029	0.458
Number of reflections	26448
<I/σ(I)>	11.7
Completeness [%]	99.8	96.4	100
Redundancy	7.4	6.5	7.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.67	298	0.1M MES, 20mM NaPi, 75mM NaCl, 0.2M Ammonium sulfate, 2mM DTT, 25% PEG 6000, pH 6.67, VAPOR DIFFUSION, HANGING DROP, temperature 298K