8Q3D

HsNMT1 in complex with both MyrCoA and GNCFSKPR(NH2) inhibitor peptide

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-08
Detector	DECTRIS EIGER R 4M
Wavelength(s)	0.96770
Spacegroup name	P 21 21 2
Unit cell lengths	79.800, 178.340, 58.260
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.670 - 2.150
R-factor	0.1446
Rwork	0.142
R-free	0.18670
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.854
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.17_3644)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.780	2.210
High resolution limit [Å]	2.150	2.150
Rpim	0.020	0.066
Number of reflections	45961	3507
<I/σ(I)>	29.3	13
Completeness [%]	99.4	94.5
Redundancy	17
CC(1/2)	0.999	0.984

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