37BG

Crystal Structure of Histone-lysine N-methyltransferase from Leishmania major in complex with S-ADENOSYLMETHIONINE

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	2026-06-13
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9786
Spacegroup name	P 1 21 1
Unit cell lengths	69.816, 91.915, 81.797
Unit cell angles	90.00, 102.67, 90.00

Refinement procedure

Resolution	49.370 - 1.930
R-factor	0.1851
Rwork	0.183
R-free	0.23130
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.914
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((2.1_6048: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.370	1.970
High resolution limit [Å]	1.930	1.930
Rmerge	0.145	1.095
Rmeas	0.157	1.210
Rpim	0.060	0.504
Total number of observations	516275	24871
Number of reflections	75739	4461
<I/σ(I)>	8.1	1.5
Completeness [%]	99.9
Redundancy	6.8	5.6
CC(1/2)	0.997	0.728

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	291	27.5% PEG 3350, 0.1M Bis-Tris 5.5, 0.2M NaCl. LemaA.18205.a.B2.PW39520 at 12.4 mg/mL. Crystals soaked with 5 mM SAM, plate 21007 C10 drop 2, Puck: PSL-2811, Cryo: 33% P3350, 0.1M BT 5.5, 0.2M NaCl