7ACM

Crystal structure of E. coli HTH-type transcriptional regulator RcdA in complex with TMAO at 1.76 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9180
Spacegroup name	P 1 21 1
Unit cell lengths	39.762, 74.134, 51.710
Unit cell angles	90.00, 95.19, 90.00

Refinement procedure

Resolution	42.294 - 1.763
R-factor	0.1599
Rwork	0.158
R-free	0.20280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5x5i
RMSD bond length	0.007
RMSD bond angle	1.036
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.294	42.294	1.870
High resolution limit [Å]	1.760	5.250	1.760
Rmerge	0.072	0.042	0.608
Rmeas	0.078	0.045	0.660
Total number of observations	189816
Number of reflections	28947	1144	4459
<I/σ(I)>	14.73	38.26	2.42
Completeness [%]	97.9	99.4	93.7
Redundancy	6.557	6.6	6.432
CC(1/2)	0.999	0.998	0.842

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.2 M TMAO, 0.1 M HEPES pH 7.5, 10% PEG 3350