8VKA

Crystal structure of Plasmodium vivax glycylpeptide N-tetradecanoyltransferase (N-myristoyltransferase, NMT) bound to myristoyl-CoA and inhibitor 9c

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2022-07-01
Detector	ADSC QUANTUM 315
Wavelength(s)	1.00003
Spacegroup name	P 21 21 21
Unit cell lengths	58.340, 119.279, 173.755
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.870 - 1.970
R-factor	0.1593
Rwork	0.157
R-free	0.19800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	0.819
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]	48.430	2.010
High resolution limit [Å]	1.970	1.970
Rmerge	0.138	0.988
Rmeas	0.154	1.100
Rpim	0.066	0.469
Total number of observations	375036	20997
Number of reflections	81680	4587
<I/σ(I)>	8	1.8
Completeness [%]	94.9
Redundancy	4.6	4.6
CC(1/2)	0.996	0.693

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		296	0.2 M magnesium chloride, 0.1 M Tris, pH 8.5, and 20% PEG 8000.