8YS9

Crystal structure of Phosphatidylethanolamine N-methyltransferase from R. thermophilum complexed with DMPE and SAH

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-12-03
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97957
Spacegroup name	P 21 21 21
Unit cell lengths	71.042, 77.681, 83.159
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.770 - 1.460
Rwork	0.152
R-free	0.19700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.782
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.770	1.488
High resolution limit [Å]	1.460	1.463
Rmerge	0.105
Rmeas	0.109
Rpim	0.029
Number of reflections	79982	3943
<I/σ(I)>	13.2	0.7
Completeness [%]	100.0	100
Redundancy	13.5	13.4
CC(1/2)	1.000	0.322

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.4 M ammonium sulfate, 0.1 M potassium sodium tartrate tetrahydrate, 20% (v/v) polyethylene glycol (PEG) 3350