6NSM

TetR family transcriptional regulator CifR C99T-C107S-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-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979303
Spacegroup name	P 21 21 2
Unit cell lengths	64.329, 167.897, 82.538
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.980 - 2.800
R-factor	0.2288
Rwork	0.228
R-free	0.24780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6nsn
RMSD bond length	0.004
RMSD bond angle	0.570
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]	27.980	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.159	1.623
Rmeas	0.163	1.683
Rpim	0.045	0.444
Number of reflections	22709	2226
<I/σ(I)>	15.16	1.55
Completeness [%]	99.7	100
Redundancy	13.5	14.1
CC(1/2)	0.999	0.654

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.9	291	0.1 M Tris, pH 7.9, 0.2 M magnesium chloride, 18% PEG4000