9XRJ

Crystal structure of MTH1 in complex with acoramidis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-10-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	46.320, 47.460, 123.860
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.390 - 1.860
R-factor	0.1838
Rwork	0.181
R-free	0.23230
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.907
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	EPMR
Refinement software	PHENIX ((1.21_5207: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.300	1.910
High resolution limit [Å]	1.860	1.860
Rmeas	0.128	1.011
Number of reflections	23680	1704
<I/σ(I)>	12.2	2.3
Completeness [%]	100.0	100
Redundancy	6.4	6.6
CC(1/2)	0.997	0.709

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	1M sodium citrate, 0.2M sodium chloride, 0.1M cacodylate pH 6.5