3Q5S

Crystal structure of BmrR bound to Acetylcholine

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	2010-07-08
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 43 2 2
Unit cell lengths	106.407, 106.407, 145.571
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.230 - 3.100
R-factor	0.227
Rwork	0.225
R-free	0.27600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.479
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	REFMAC
Refinement software	REFMAC

Data quality characteristics

	Overall
Low resolution limit [Å]	45.230
High resolution limit [Å]	3.100
Completeness [%]	17.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7	291	1.0 M Sodium Malonate ph 7.0 0.05% Jeffamine M600, VAPOR DIFFUSION, HANGING DROP, temperature 291K