9RFS

Methyltransferase XisE in complex with SAH, open state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-06-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9763
Spacegroup name	P 1
Unit cell lengths	47.470, 47.590, 85.410
Unit cell angles	80.45, 80.16, 73.38

Refinement procedure

Resolution	45.250 - 1.450
R-factor	0.15109
Rwork	0.150
R-free	0.16998
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.260
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.550
High resolution limit [Å]	1.450	1.450
Rmerge	0.045	0.589
Number of reflections	119221	21408
<I/σ(I)>	15.2	2.3
Completeness [%]	96.0	95.3
Redundancy	4	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	200 mM MgSO4, 20% PEG 4000, 10% glycerol