7ACO

Crystal structure of E. coli HTH-type transcriptional regulator RcdA in complex with Tris at 1.80 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-12
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9184
Spacegroup name	P 1 21 1
Unit cell lengths	39.894, 74.688, 51.896
Unit cell angles	90.00, 95.05, 90.00

Refinement procedure

Resolution	39.739 - 1.798
R-factor	0.1571
Rwork	0.155
R-free	0.20350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5x5i
RMSD bond length	0.007
RMSD bond angle	1.011
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]	39.739	39.739	1.910
High resolution limit [Å]	1.798	5.360	1.800
Rmerge	0.102	0.040	1.464
Rmeas	0.110	0.043	1.582
Number of reflections	27595	1079	4211
<I/σ(I)>	12.47	41.24	1.28
Completeness [%]	97.7	97.2	92.5
Redundancy	6.893	6.69	6.826
CC(1/2)	0.999	0.999	0.516

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0.2 M TMAO, 0.1 M Tris pH 8.5, 20% mmePEG 2000