9VVU

Crystal structure of the LysR-type transcriptional regulator CutR from mycobacterium sp. strain JC1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2021-05-13
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97933
Spacegroup name	P 21 21 21
Unit cell lengths	69.933, 81.809, 101.061
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.620 - 1.800
R-factor	0.1921
Rwork	0.191
R-free	0.23340
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.736
Data reduction software	DENZO
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.830
High resolution limit [Å]	1.800	4.880	1.800
Rmerge	0.062	0.038	0.569
Rmeas	0.067	0.042	0.656
Rpim	0.026	0.017	0.319
Total number of observations	337472
Number of reflections	52582	2746	2036
<I/σ(I)>	16
Completeness [%]	96.5	92.9	76.4
Redundancy	6.4	6.1	3.8
CC(1/2)	0.995	0.998	0.753

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	294.15	5% PEG8000, 0.1 M Sodium Acetate, 4% ethylene glycol