8RX4

Mycothione reductase from Mycobacterium xenopi in complex with co-factor FAD and redox co-factor NADP(H)

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	2022-06-23
Detector	DECTRIS PILATUS3 X 2M
Wavelength(s)	0.873
Spacegroup name	C 1 2 1
Unit cell lengths	128.813, 64.996, 137.536
Unit cell angles	90.00, 100.44, 90.00

Refinement procedure

Resolution	63.340 - 2.340
R-factor	0.235
Rwork	0.233
R-free	0.27750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.717
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]	63.340	2.470
High resolution limit [Å]	2.340	2.340
Rmerge	0.164	1.895
Rmeas	0.178	2.055
Rpim	0.069	0.787
Total number of observations	317955	46567
Number of reflections	47513	6850
<I/σ(I)>	7.3	1.1
Completeness [%]	100.0
Redundancy	6.7	6.8
CC(1/2)	0.997	0.673

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	Bis-tris propaan, sodium chloride, PEG 3350, ethylene glycol