3F8B

Crystal structure of the multidrug binding transcriptional regulator LmrR in drug free state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	CCD
Collection date	2007-11-11
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97
Spacegroup name	C 2 2 21
Unit cell lengths	46.669, 52.695, 174.998
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	87.370 - 2.000
R-factor	0.221
Rwork	0.219
R-free	0.27200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2esh 1yyv 1xma
RMSD bond length	0.011
RMSD bond angle	1.433
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.25)
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	87.499	35.010	2.110
High resolution limit [Å]	2.000	6.320	2.000
Rmerge	0.145	0.049	0.503
Total number of observations		3709	16751
Number of reflections	14971
<I/σ(I)>	4.414	10.7	1.4
Completeness [%]	99.7	99.7	99.3
Redundancy	7.7	6.7	7.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	30% PEG 1500, 0.1M propionic acid, cacodylate, Bis-Tris propane (PCB buffer), pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K