4ZZD

CRYSTAL STRUCTURE OF MULTIDRUG RESISTANCE REGULATOR LMRR BOUND TO RIBOFLAVIN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-10-05
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.8726
Spacegroup name	P 43 21 2
Unit cell lengths	35.215, 35.215, 179.787
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.360 - 2.351
R-factor	0.21
Rwork	0.206
R-free	0.26900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.013
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.500	2.530
High resolution limit [Å]	2.351	2.350
Rmerge	0.060	0.400
Number of reflections	5144
<I/σ(I)>	15.3	3.2
Completeness [%]	99.0	99.3
Redundancy	3.3	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	295	0.1M TRIS-HCL, 17% PEG 2000 MME, 0.2M TRI-METHYLAMINE N-OXIDE