6R72

Crystal structure of BmrA-E504A in an outward-facing conformation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-05
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.98
Spacegroup name	P 1 21 1
Unit cell lengths	117.805, 110.754, 155.615
Unit cell angles	90.00, 93.23, 90.00

Refinement procedure

Resolution	28.420 - 3.950
R-factor	0.263
Rwork	0.260
R-free	0.32100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3b60 2hyd
RMSD bond length	0.009
RMSD bond angle	1.090
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.600	4.300
High resolution limit [Å]	3.920	3.920
Rmerge	0.068	3.700
Number of reflections	20484	959
<I/σ(I)>	11.65	1.39
Completeness [%]	92.0
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	295.15	23-27% PEG 1000, 0.1M Tris pH 8.5