8FI6

Crystal Structure of Glycylpeptide N-tetradecanoyltransferase (N-myristoyl transferase) (NMT) from Leishmania major Friedlin bound to tetradecanoyl-CoA (Orthorhombic P Form 3)

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	55.809, 88.620, 92.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.220 - 1.800
R-factor	0.1671
Rwork	0.165
R-free	0.21120
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.017
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]	47.780	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.080	1.323
Rmeas	0.085	1.399
Rpim	0.028	0.447
Total number of observations	393008	24005
Number of reflections	43124	2515
<I/σ(I)>	14.9	1.9
Completeness [%]	99.7
Redundancy	9.1	9.5
CC(1/2)	0.998	0.650

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_03, Cryo: 20% MPD. MYA ligand was acquired from the expression host and not added prior to crystallization.