6MAZ

Crystal structure of N-myristoyl transferase (NMT) G386E mutant from Plasmodium vivax in complex with inhibitor IMP-0366

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	2018-03-15
Detector	RAYONIX MX-300
Wavelength(s)	0.9787
Spacegroup name	P 21 21 21
Unit cell lengths	57.500, 121.250, 177.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.550
R-factor	0.145
Rwork	0.145
R-free	0.16640
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((1.14_3228: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.590
High resolution limit [Å]	1.550	6.930	1.550
Rmerge	0.066	0.024	0.537
Rmeas	0.073	0.026	0.586
Number of reflections	180669	2234	13216
<I/σ(I)>	18.81	53.8	3.4
Completeness [%]	100.0	99	100
Redundancy	6.18	5.547	6.15
CC(1/2)	0.999	0.999	0.887

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	287	27% PEG 3350, 200 mM Ammonium Sulfate, 100 mM BisTris pH 6.0, 0.5mM IMP-0366, 0.5mM myristoyl CoA: PlviB.18219.a.FR21.PS38348 conc 12.2mg/mL: 20eg: puck id zzu5-6