6SJZ

HsNMT1 in complex with both MyrCoA and Acetylated-GNCFSKPR substrates

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-06-08
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.966000
Spacegroup name	P 21 21 2
Unit cell lengths	79.908, 178.900, 58.379
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.888 - 1.995
R-factor	0.1731
Rwork	0.172
R-free	0.20160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5o9v
RMSD bond length	0.004
RMSD bond angle	0.810
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	MOLREP
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.890	2.050
High resolution limit [Å]	1.990	1.990
Rmerge	0.103	0.509
Rmeas	0.110	0.550
Rpim	0.038	0.203
Number of reflections	115590	3937
<I/σ(I)>	14.4
Completeness [%]	99.5	93.6
Redundancy	8	6.8
CC(1/2)	0.998	0.897

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	22% PEG6K, 100mM Sodium Citrate pH 5.5, 100mM MgCl2, 100mM NaCl.