6FZ5

Human N-myristoyltransferase (NMT1) with Myristoyl-CoA and inhibitor bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	110
Detector technology	PIXEL
Collection date	2018-03-11
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.976
Spacegroup name	C 1 2 1
Unit cell lengths	92.390, 58.160, 154.001
Unit cell angles	90.00, 92.36, 90.00

Refinement procedure

Resolution	76.940 - 1.890
R-factor	0.19115
Rwork	0.189
R-free	0.22339
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.440
Data reduction software	MOSFLM (7.2.1)
Data scaling software	pointless (1.11.4)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	76.940	1.930
High resolution limit [Å]	1.890	1.890
Rmerge	0.085	0.551
Rmeas	0.105	0.687
Rpim	0.061	0.403
Number of reflections	62185	4069
<I/σ(I)>	6.4	1.7
Completeness [%]	94.8	96.9
Redundancy	2.6	2.6
CC(1/2)	0.995	0.605

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	293	24% PEG 4000 5 mM NiCl2 0.1 M Na citrate 5% Glycerol