5NPQ

Human N-myristoyltransferase 1 (MNT1) with Myristoyl-CoA analogue X10 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	2016-12-12
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97625
Spacegroup name	P 21 21 2
Unit cell lengths	79.972, 177.454, 58.244
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	88.727 - 2.372
R-factor	0.2022
Rwork	0.199
R-free	0.26060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB 4C2Y
RMSD bond length	0.008
RMSD bond angle	1.039
Data reduction software	XDS (November 1, 2016)
Data scaling software	Aimless (0.5.29)
Phasing software	PHASER (2.7.17)
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	177.454	2.413
High resolution limit [Å]	2.372	2.372
Rmerge	0.191	0.847
Rpim	0.076	0.353
Number of reflections	34474	1709
<I/σ(I)>	9.3	2.2
Completeness [%]	100.0	99.7
Redundancy	7.2	6.7
CC(1/2)	0.994	0.661

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	293	0.1M NaCit pH 4.5, 5mM NiCl2, 2.5% glycerol and PEG 4K 18% Protein concentration: 7.05 mg/ml