6NSN

TetR family transcriptional regulator CifR C99T-C181R Cysteines mutant complexed with 26bp double-strand operator DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-12
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.979075
Spacegroup name	P 21 21 2
Unit cell lengths	63.968, 166.685, 82.979
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.860 - 2.600
R-factor	0.2238
Rwork	0.223
R-free	0.24160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6nsr
RMSD bond length	0.006
RMSD bond angle	0.825
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.860	2.693
High resolution limit [Å]	2.600	2.600
Rmerge	0.107	1.312
Rmeas	0.112	1.367
Rpim	0.032	0.379
Number of reflections	28053	2765
<I/σ(I)>	17.92
Completeness [%]	99.8	99.89
Redundancy	12.2	12.7
CC(1/2)	0.999	0.723

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291.15	0.1 M Tris, pH 7.5, 0.2 M magnesium chloride, 16% PEG4000