9BXL

OvoM from Sulfuricurvum sp. isolate STB_99, an ovothiol-biosynthetic N-methyltransferase in complex with SAM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-11-29
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.97949
Spacegroup name	P 21 21 21
Unit cell lengths	70.160, 92.215, 95.999
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.270 - 2.090
R-factor	0.1928
Rwork	0.191
R-free	0.22220
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.049
Data reduction software	XDS (XDS-Apple_M1)
Data scaling software	XDS (XDS-Apple_M1)
Phasing software	PHASER (1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.270	2.165
High resolution limit [Å]	2.090	2.090
Rmerge	0.054	0.551
Rmeas	0.077	0.779
Rpim	0.054	0.551
Number of reflections	37433	3567
<I/σ(I)>	9.49	1.11
Completeness [%]	99.6	96.36
Redundancy	2	2
CC(1/2)	0.997	0.644

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	0.1 M citric acid, pH 5, 20% PEG6000