6EU5

Leishmania major N-myristoyltransferase with bound myristoyl-CoA and inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-09-29
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.966
Spacegroup name	P 1 21 1
Unit cell lengths	48.770, 90.590, 53.420
Unit cell angles	90.00, 114.14, 90.00

Refinement procedure

Resolution	48.748 - 1.496
R-factor	0.170690026844
Rwork	0.169
R-free	0.20337
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3h5z
RMSD bond length	0.007
RMSD bond angle	0.906
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.8.0)
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.748	1.522
High resolution limit [Å]	1.496	1.496
Rmerge	0.036	0.526
Rmeas	0.050	0.744
Rpim	0.036	0.526
Number of reflections	65618	3245
<I/σ(I)>	16.8	2.1
Completeness [%]	96.3	95.1
Redundancy	3.1	2.8
CC(1/2)	0.999	0.751

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293.15	PEG 1500 25 % Sodium chloride 0.2 M Sodium cacodylate 0.1 M