9BXM

OvoM from Sulfuricurvum sp. isolate STB_99, a SAM-dependent N-methyltransferase involved in ovothiol biosynthesis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-12-14
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	1.0
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	39.620 - 2.270
R-factor	0.1893
Rwork	0.187
R-free	0.23580
Structure solution method	SIR
RMSD bond length	0.004
RMSD bond angle	0.678
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]	39.620	2.351
High resolution limit [Å]	2.270	2.270
Rmerge	0.032	0.311
Rmeas	0.046	0.441
Rpim	0.032	0.311
Number of reflections	28478	2306
<I/σ(I)>	16.63	1.93
Completeness [%]	96.7	79.83
Redundancy	1.9	1.7
CC(1/2)	0.999	0.764

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	0.1 M citrate pH 5, 24% PEG6000