7OWN

HsNMT1 in complex with both MyrCoA and peptide AKSFSKPR

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	2020-06-21
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.98012
Spacegroup name	P 21 21 2
Unit cell lengths	79.689, 178.442, 58.248
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.770 - 2.100
R-factor	0.1689
Rwork	0.166
R-free	0.21500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6sk2
RMSD bond length	0.007
RMSD bond angle	0.913
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17_3644)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.770	2.060
High resolution limit [Å]	2.010	2.010
Rpim	0.046	0.428
Number of reflections	55446	3702
<I/σ(I)>	15.9	2
Completeness [%]	99.4	92.1
Redundancy	14.9	13
CC(1/2)	0.999	0.792

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	22% PEG6K, 100mM Sodium Citrate pH 5.6, 100mM MgCl2, 100mM NaCl