8QCJ

Crystal structure of mycothiol disulfide reductase Mtr from Rhodococcus erythropolis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-07-21
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.87311
Spacegroup name	P 31
Unit cell lengths	92.965, 92.965, 100.223
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.480 - 2.900
R-factor	0.1797
Rwork	0.177
R-free	0.22340
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.752
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.480	3.080
High resolution limit [Å]	2.900	2.900
Rmerge	0.209	1.724
Rmeas	0.220	1.814
Rpim	0.069	0.561
Number of reflections	21492	3468
<I/σ(I)>	10.1	1.7
Completeness [%]	100.0	100
Redundancy	10.2	10.3
CC(1/2)	0.997	0.593

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	45% (w/v) polypropylene glycol 400 and 4% (v/v) ethanol, and protein concentration of 30 mg/mL