9H09

Crystal structure of Halide methyltransferase from Tulasnella calospora in complex with sinefungin 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	2024-05-09
Detector	DECTRIS EIGER2 X 4M
Wavelength(s)	0.7749
Spacegroup name	P 43 21 2
Unit cell lengths	59.957, 59.957, 231.818
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.050 - 2.560
R-factor	0.2152
Rwork	0.213
R-free	0.23790
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.501
Data reduction software	xia2.multiplex
Data scaling software	xia2.multiplex
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.960	2.600
High resolution limit [Å]	2.560	2.560
Rmerge	1.302
Rmeas	1.309	56.591
Rpim	0.138	5.903
Number of reflections	14581	722
<I/σ(I)>	9	0.5
Completeness [%]	100.0	100
Redundancy	86.7	88.6
CC(1/2)	0.999	0.251

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