9H8M

FAD-dependent monooxygenase sorC

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-03-10
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.965459
Spacegroup name	P 21 21 21
Unit cell lengths	45.817, 92.831, 98.164
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.430 - 1.380
R-factor	0.17932
Rwork	0.178
R-free	0.20217
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.889
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.450	1.400
High resolution limit [Å]	1.380	1.380
Rmerge	0.047	1.124
Rmeas	0.053	1.312
Rpim	0.024	0.663
Total number of observations	379985	14715
Number of reflections	85417	4104
<I/σ(I)>	13.4	1.2
Completeness [%]	98.8
Redundancy	4.4	3.6
CC(1/2)	0.999	0.543

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	293	0.2 M MgCl2, 0.1 M Tri pH 8.5, 20% W/V PEG8000