7OWO

HsNMT1 in complex with both MyrCoA and N-acetylated KSFSKPR peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-04
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97856
Spacegroup name	P 21 21 2
Unit cell lengths	79.315, 178.287, 58.173
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.720 - 1.700
R-factor	0.1848
Rwork	0.183
R-free	0.22320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5o9t
RMSD bond length	0.007
RMSD bond angle	0.899
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (1.17_3644)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.720	1.750
High resolution limit [Å]	1.700	1.700
Rpim	0.031	0.409
Number of reflections	79532	3977
<I/σ(I)>	14.4	1.872
Completeness [%]	97.2	96.5
Redundancy	13.2	12.31
CC(1/2)	0.999	0.766

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	23% PEG 6K, 100mM NaCitrate 5.6, 100mM MgCl2, 100mM NaCl