37EQ

Crystal Structure of Histone-lysine N-methyltransferase from Leishmania major in complex with 5'-O-(glycylsulfamoyl)adenosine

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, 92.187, 36.065
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.090 - 2.070
R-factor	0.2309
Rwork	0.229
R-free	0.27280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.628
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]	46.090	2.120
High resolution limit [Å]	2.070	2.070
Rmerge	0.104	2.118
Rmeas	0.108	2.199
Rpim	0.030	0.586
Total number of observations	191942	14877
Number of reflections	14738	1083
<I/σ(I)>	16.2	1.7
Completeness [%]	100.0
Redundancy	13	13.7
CC(1/2)	0.999	0.836

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 G5A in cryo, plate 20826 E7, Puck: PSL-0614, Cryo: 33% P3350, 0.1M BT 5.5, 0.2M NaCl