5MU6

Human N-myristoyltransferase (NMT1) with Myristoyl-CoA and IMP-1088 inhibitor bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-11-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.92819
Spacegroup name	P 21 21 2
Unit cell lengths	78.730, 180.730, 58.990
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	72.179 - 1.880
R-factor	0.206
Rwork	0.204
R-free	0.24670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4c2y
RMSD bond length	0.008
RMSD bond angle	1.242
Data reduction software	XDS
Data scaling software	Aimless (0.5.17)
Phasing software	PHASER (2.5.6)
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	72.180	1.930
High resolution limit [Å]	1.880	1.880
Rmerge	0.254	1.654
Rpim	0.101	0.716
Number of reflections	69366	5068
<I/σ(I)>	7.8
Completeness [%]	99.9	99.9
Redundancy	7.3	6.3
CC(1/2)	0.991	0.501

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	23% (v/w) MME2K, 0.2M KBr, 100 mM sodium citrate pH 4.5, and 5% (v/v) glycerol