5O6H

Human NMT1 in complex with myristoyl-CoA and inhibitor IMP-917

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	2013-05-13
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9200
Spacegroup name	P 21 21 2
Unit cell lengths	79.138, 178.852, 58.465
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.000 - 1.290
R-factor	0.16533
Rwork	0.164
R-free	0.19348
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4c2y
RMSD bond length	0.028
RMSD bond angle	2.498
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	89.000	1.310
High resolution limit [Å]	1.290	1.290
Rmerge	0.062	0.651
Rpim	0.039	0.595
Number of reflections	206823	9516
<I/σ(I)>	14.7	1.6
Completeness [%]	99.1	93.1
Redundancy	6.2	3.4
CC(1/2)	0.999	0.697

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	291	0.4M Sodium phosphate buffer, 17.5% PEG 3350