37EP

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

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	2026-02-22
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9786
Spacegroup name	P 21 21 2
Unit cell lengths	69.258, 92.397, 36.537
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.200 - 1.960
R-factor	0.2309
Rwork	0.229
R-free	0.26740
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.722
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]	46.200	2.010
High resolution limit [Å]	1.960	1.960
Rmerge	0.154	1.907
Rmeas	0.160	1.981
Rpim	0.044	0.533
Total number of observations	229404	17283
Number of reflections	17538	1274
<I/σ(I)>	11.3	1.6
Completeness [%]	100.0
Redundancy	13.1	13.6
CC(1/2)	0.999	0.833

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. overnight soak in 5 mM ATP in cryo, plate 20826 E7, Puck: PSL-0614, Cryo: 33% P3350, 0.1M BT 5.5, 0.2M NaCl