9H92

FAD-dependent oxidase sorD

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	2024-05-17
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.96546
Spacegroup name	C 2 2 21
Unit cell lengths	65.115, 115.720, 137.426
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	68.710 - 1.550
R-factor	0.1704
Rwork	0.169
R-free	0.20161
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.750
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]	137.430	1.580
High resolution limit [Å]	1.550	1.550
Rmerge	0.171	1.586
Rmeas	0.186	1.747
Rpim	0.072	0.726
Total number of observations	494466	21068
Number of reflections	75455	3698
<I/σ(I)>	6.9	1
Completeness [%]	100.0
Redundancy	6.6	5.7
CC(1/2)	0.995	0.578

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.2 M K thiocyanate, 20 % PEG3350