7OWR

HsNMT1 in complex with both MyrCoA and peptide GGKSFSKPR

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	2020-12-06
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.98012
Spacegroup name	C 1 2 1
Unit cell lengths	90.384, 61.363, 158.871
Unit cell angles	90.00, 90.10, 90.00

Refinement procedure

Resolution	48.370 - 2.390
R-factor	0.1756
Rwork	0.173
R-free	0.21870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5o9t
RMSD bond length	0.003
RMSD bond angle	0.823
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]	48.373	2.436
High resolution limit [Å]	2.390	2.390
Rpim	0.041	0.230
Number of reflections	34542	1728
<I/σ(I)>	12.69	3.122
Completeness [%]	99.4	91.28
Redundancy	5.71	4.92
CC(1/2)	0.996	0.851

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	16% PEG6K, 100mM Sodium Acetate 4.6