6MB1

Crystal structure of N-myristoyl transferase (NMT) from Plasmodium vivax in complex with inhibitor IMP-1002

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2018-06-07
Detector	RAYONIX MX-300
Wavelength(s)	0.9787
Spacegroup name	P 21 21 21
Unit cell lengths	57.560, 119.110, 176.080
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.500
R-factor	0.1546
Rwork	0.154
R-free	0.18260
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3211)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.540
High resolution limit [Å]	1.500	6.710	1.500
Rmerge	0.090	0.032	0.462
Rmeas	0.099	0.036	0.523
Number of reflections	193711	2403	14201
<I/σ(I)>	11.91	24.06	2.62
Completeness [%]	99.9	99.4	99.9
Redundancy	5.783	5.618	4.505
CC(1/2)	0.997	0.999	0.804

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.6	287	24.36% PEG 3350, 200 mM Ammonium Sulfate, 100 mM BisTris pH 6.6, 0.5mM IMP-1002, 0.5mM myristoyl CoA: PlviB.18219.a.FR2.PS38393 conc 7.8mg/mL: puck id qxk8-4