7DMB

Crystal structure of trans-methyltransferase CalH complex with SAH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-27
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.08
Spacegroup name	P 1
Unit cell lengths	41.810, 60.594, 71.146
Unit cell angles	87.79, 88.34, 89.74

Refinement procedure

Resolution	46.990 - 2.100
R-factor	0.1891
Rwork	0.186
R-free	0.24340
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	0.883
Data reduction software	XDS
Data scaling software	Aimless
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.990	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.131	0.565
Number of reflections	39461	3199
<I/σ(I)>	5.3	1.6
Completeness [%]	97.0
Redundancy	3.5	3.7
CC(1/2)	0.987	0.717

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		283	100 mM HEPES pH 7.0, 20% PEG4000, 0.5 mM SAH