6EHJ

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-18
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97625
Spacegroup name	P 21 21 2
Unit cell lengths	80.250, 177.540, 58.140
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.080 - 2.100
R-factor	0.187
Rwork	0.184
R-free	0.23860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4c2y
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.082	2.150
High resolution limit [Å]	2.100	2.100
Rmerge	0.112	0.968
Rpim	0.047	0.047
Number of reflections	49357	3595
<I/σ(I)>	12.3	1.3
Completeness [%]	99.8	99.3
Redundancy	6.7	4.1
CC(1/2)	0.998	0.508

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	16-18% (v/w) PEG 4K, 5 mM NiCl2, 100 mM sodium citrate pH 4.5, and 2.5% (v/v) glycerol