37EU

Crystal Structure of Histone-lysine N-methyltransferase from Leishmania major in complex with S-ADENOSYL-L-HOMOCYSTEINE (P21 form)

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	2026-02-25
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9786
Spacegroup name	P 1 21 1
Unit cell lengths	69.949, 91.846, 82.265
Unit cell angles	90.00, 102.96, 90.00

Refinement procedure

Resolution	46.990 - 2.100
R-factor	0.245
Rwork	0.244
R-free	0.26940
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.659
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]	46.990	2.150
High resolution limit [Å]	2.100	2.100
Rmerge	0.198	0.867
Rmeas	0.214	0.938
Rpim	0.081	0.356
Total number of observations	412872	29747
Number of reflections	59204	4355
<I/σ(I)>	7.9	2.3
Completeness [%]	99.9
Redundancy	7	6.8
CC(1/2)	0.995	0.864

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	291	25% P3350, Bis-Tris 5.5, 0.2M NaCl. LemaA.18205.a.B2.PW39520 at 12.4 mg/mL. BTB bound from crystallant and SAH from the expression host , plate 20826 G7, Puck: PSL-1805, Cryo: 33% P3350, Bis-Tris 5.5, 0.2M NaCl