6FZ3

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	2016-03-11
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.976251
Spacegroup name	C 1 2 1
Unit cell lengths	91.278, 58.000, 153.309
Unit cell angles	90.00, 92.18, 90.00

Refinement procedure

Resolution	50.870 - 2.000
R-factor	0.20057
Rwork	0.199
R-free	0.23492
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6fz5
RMSD bond length	0.010
RMSD bond angle	1.456
Data reduction software	XDS (0.5.436)
Data scaling software	pointless (0.5.436)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	76.600	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.100	0.388
Rmeas	0.129	0.498
Rpim	0.080	0.308
Number of reflections	46006	3522
<I/σ(I)>	4.5	2.1
Completeness [%]	84.9	89.8
Redundancy	1.9	1.9
CC(1/2)	0.981	0.806

Crystallization Conditions

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