8Z9U

Crystal structure of the Methermicoccus shengliensis ZC-1 2-methoxybenzoic acid methyltransferase (MtxA)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-10-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9785
Spacegroup name	P 21 21 21
Unit cell lengths	77.716, 83.214, 132.474
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.010 - 1.910
R-factor	0.2134
Rwork	0.212
R-free	0.23290
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.960
Data reduction software	HKL-2000
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (v1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.510	2.051
High resolution limit [Å]	1.910	1.910
Rmerge	0.104
Number of reflections	67410	58060
<I/σ(I)>	15.3
Completeness [%]	95.3
Redundancy	11.9
CC(1/2)	0.999	0.779

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1 M HEPES pH 7.5 42% % v/v Polyethylene glycol 200 pH 7.5