9H04

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

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-09-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000
Spacegroup name	P 43 21 2
Unit cell lengths	59.255, 59.255, 229.411
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.370 - 1.900
R-factor	0.1999
Rwork	0.198
R-free	0.22960
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.974
Data reduction software	DIALS (3.18.0)
Data scaling software	DIALS (3.18.0)
Phasing software	PHENIX (1.20.1_4487)
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	229.410	1.930
High resolution limit [Å]	1.900	1.900
Rmerge	0.123	3.572
Rmeas	0.126	3.649
Rpim	0.025	0.741
Number of reflections	38338	1622
<I/σ(I)>	15.4	0.5
Completeness [%]	100.0	100
Redundancy	26.1
CC(1/2)	0.990	0.565

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