8FI4

Crystal Structure of Glycylpeptide N-tetradecanoyltransferase (N-myristoyl transferase) (NMT) from Leishmania major Friedlin bound to tetradecanoyl-CoA (Orthorhombic P Form 1)

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	2022-12-10
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9786
Spacegroup name	P 21 21 21
Unit cell lengths	53.883, 79.489, 91.164
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.390 - 1.800
R-factor	0.161
Rwork	0.159
R-free	0.19650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	0.996
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.390	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.122	1.388
Rmeas	0.128	1.452
Rpim	0.039	0.423
Total number of observations	387821	23955
Number of reflections	36370	2090
<I/σ(I)>	12.2	2
Completeness [%]	98.4
Redundancy	10.7	11.5
CC(1/2)	0.998	0.803

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	291	0.1 M Bicine, 20% PEG 6000, LemaA.18219.a.B2.PS38707 at 11.17 mg/mL. Tray: Tray 383B3/1 mM Perez-1, Puck: HR00406_02, Cryo: 20% PEG 200. MYA ligand was acquired from the expression host and not added prior to crystallization.