3F8C

Crystal structure of multidrug binding transcriptional regulator LmrR complexed with Hoechst 33342

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2006-11-09
Detector	ADSC QUANTUM 315
Wavelength(s)	0.92
Spacegroup name	P 43 21 2
Unit cell lengths	34.930, 34.930, 197.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.000 - 2.200
R-factor	0.212
Rwork	0.209
R-free	0.25800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3f8b
RMSD bond length	0.013
RMSD bond angle	0.907
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.7)
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.270	2.300
High resolution limit [Å]	2.200	2.200
Rmerge		0.220
Number of reflections	6957
Completeness [%]	100.0	100
Redundancy	6.8	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	298	25% PEG 1500, 0.1M succinic acid/phosphate/glycine (SPG buffer), pH 9.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K