37EL

Crystal Structure of Histone-lysine N-methyltransferase from Leishmania major in complex with S-ADENOSYL-L-HOMOCYSTEINE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 19-ID
Synchrotron site	NSLS-II
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2026-01-31
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9786
Spacegroup name	P 21 21 2
Unit cell lengths	68.916, 92.340, 37.813
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.360 - 1.510
R-factor	0.169
Rwork	0.167
R-free	0.20000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.973
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (2.0_5936)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.170	1.550
High resolution limit [Å]	1.510	1.510
Rmerge	0.074	1.340
Rmeas	0.077	1.402
Rpim	0.021	0.404
Total number of observations	510737	31914
Number of reflections	38744	2767
<I/σ(I)>	20.8	1.6
Completeness [%]	100.0
Redundancy	13.2	11.5
CC(1/2)	1.000	0.801

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	291	27.5% P3350, 0.1M BT 5.5, 0.2M NaCl. LemaA.18205.a.B2.PW39520 at 12.4 mg/mL. electron density in the active site was consistent with SAH acquired from the expression host, plate 20826 E12 drop 1, Puck: PSL-1301, Cryo: 33% P3350, 0.1M BT 5.5, 0.2M NaCl