6MB0

Crystal structure of N-myristoyl transferase (NMT) G386E mutant 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	2018-03-15
Detector	RAYONIX MX-300
Wavelength(s)	0.9787
Spacegroup name	P 21 21 21
Unit cell lengths	57.440, 121.190, 178.250
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.550
R-factor	0.1525
Rwork	0.152
R-free	0.17780
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	0.094	0.045	0.544
Rmeas	0.102	0.050	0.595
Number of reflections	176323	2225	12704
<I/σ(I)>	12.78	28.72	3.18
Completeness [%]	97.6	98.5	96.2
Redundancy	6.036	5.443	6.026
CC(1/2)	0.997	0.997	0.838

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	287	24% PEG 3350, 200 mM Ammonium Sulfate, 100 mM BisTris pH 6.5, 0.5mM IMP-0001088, 0.5mM myristoyl CoA: PlviB.18219.a.FR21.PS38348 conc 12.53mg/mL: puck id zzu5-1