9H07

Crystal structure of Halide methyltransferase from Tulasnella calospora in complex with SAH and mesitylene sulfonate at room temperature

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE VMXi
Synchrotron site	Diamond
Beamline	VMXi
Temperature [K]	293
Detector technology	PIXEL
Collection date	2024-05-17
Detector	DECTRIS EIGER2 X 4M
Wavelength(s)	0.7749
Spacegroup name	P 43 21 2
Unit cell lengths	59.959, 59.959, 231.749
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.050 - 2.410
R-factor	0.2102
Rwork	0.207
R-free	0.23800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.031
Data reduction software	xia2.multiplex
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.980	2.450
High resolution limit [Å]	2.410	2.410
Rmerge	1.784
Rmeas	1.791
Rpim	0.163
Number of reflections	17350	818
<I/σ(I)>	11.7	0.4
Completeness [%]	100.0
Redundancy	117.7
CC(1/2)	0.999	0.327

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M sodium citrate, 1 M LiCl, 24.533-25 % w/v PEG 6K