8VKB

Crystal structure of Plasmodium vivax glycylpeptide N-tetradecanoyltransferase (N-myristoyltransferase, NMT) bound to myristoyl-CoA and inhibitor 10b

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)	1.00004
Spacegroup name	P 21 21 21
Unit cell lengths	57.366, 119.781, 176.883
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.130 - 2.430
R-factor	0.1873
Rwork	0.185
R-free	0.23260
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.471
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]	48.130	2.520
High resolution limit [Å]	2.430	2.430
Rmerge	0.159	0.696
Rmeas	0.186	0.820
Rpim	0.096	0.424
Total number of observations	166469	16760
Number of reflections	46174	4540
<I/σ(I)>	5.3	1.6
Completeness [%]	99.1
Redundancy	3.6	3.7
CC(1/2)	0.985	0.559

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