6EO3

Conformational dynamism for DNA interaction in Salmonella typhimurium RcsB response regulator. S207C P212121

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-09-11
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.91587
Spacegroup name	P 21 21 21
Unit cell lengths	69.621, 74.222, 75.213
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.830 - 2.500
R-factor	0.21795
Rwork	0.215
R-free	0.26898
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5o8y
RMSD bond length	0.006
RMSD bond angle	1.098
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	75.200	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.067	0.653
Rmeas	0.072	0.718
Rpim	0.027	0.295
Number of reflections	14033
<I/σ(I)>	17.7	2.7
Completeness [%]	100.0	100
Redundancy	6.8	5.9
CC(1/2)	0.999	0.817

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	16 % PEG4000, 0.2 M lithium sulfate and Tris pH 8.5