8Q26

HsNMT1 in complex with both MyrCoA and GNCFSKPR inhibitor peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2015-11-04
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.96112
Spacegroup name	P 21 21 2
Unit cell lengths	79.220, 177.870, 57.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.470 - 1.900
R-factor	0.1636
Rwork	0.161
R-free	0.20600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.840
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.17_3644)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.540	1.950
High resolution limit [Å]	1.900	1.900
Rpim		0.037
Number of reflections	64915	4487
<I/σ(I)>	20.3
Completeness [%]	99.6
Redundancy	4.7
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M MgCl2, 0.2 M NaCl, 0.1 M sodium citrate pH 5.6, and 18-24% (w/v) PEG 6K or 8K