3Q2Y

Crystal Structure of BmrR bound to ethidium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-06-24
Detector	MAR CCD 165 mm
Wavelength(s)	0.97946
Spacegroup name	P 43 2 2
Unit cell lengths	106.600, 106.600, 145.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.490 - 2.950
R-factor	0.20181
Rwork	0.200
R-free	0.24593
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017
RMSD bond angle	1.733
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.060
High resolution limit [Å]	2.950	6.350	2.950
Rmerge	0.106
Number of reflections	16383
<I/σ(I)>	12.4
Completeness [%]	89.5	86.4	80
Redundancy	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	1.0 M Sodium Malonate, 0.05% jeffamine pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 291K