6VWE

Crystal structure of the D100R multidrug binding transcriptional regulator LmrR in complex with Rhodium Bis-diphosphine Complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.95369
Spacegroup name	C 1 2 1
Unit cell lengths	101.855, 35.619, 71.651
Unit cell angles	90.00, 95.92, 90.00

Refinement procedure

Resolution	35.630 - 2.500
R-factor	0.213
Rwork	0.209
R-free	0.28010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6do0
RMSD bond length	0.009
RMSD bond angle	1.252
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((dev_3758: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.630	2.630
High resolution limit [Å]	2.500	2.500
Rmerge	0.040	0.821
Rmeas	0.045	0.927
Rpim	0.021
Number of reflections	8942	1282
<I/σ(I)>	16.3
Completeness [%]	98.3	98.7
Redundancy	4.7	4.7
CC(1/2)	0.999	0.740

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	296	0.15 M Ammonium fluoride; 18% PEG 3350;