9BXN

OvoM from Sulfuricurvum sp. isolate STB_99, an ovothiol-biosynthetic N-methyltransferase in complex with 5-thiohistidine and SAH

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-02-07
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.95302
Spacegroup name	P 21 21 21
Unit cell lengths	69.800, 92.010, 96.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.100 - 1.700
R-factor	0.17
Rwork	0.169
R-free	0.19330
Structure solution method	SIR
RMSD bond length	0.013
RMSD bond angle	1.201
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]	48.100	1.761
High resolution limit [Å]	1.700	1.700
Rmerge	0.028	0.604
Rmeas	0.039	0.853
Rpim	0.028	0.604
Number of reflections	68782	6777
<I/σ(I)>	13	1.11
Completeness [%]	100.0	99.96
Redundancy	1.9	1.9
CC(1/2)	0.999	0.597

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	0.1 M citrate, pH 5, 19% v/v PEG6000