6QRM

HsNMT1 in complex with both MyrCoA and GNCFSKRRAA substrates

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)	0.967700
Spacegroup name	P 21 21 2
Unit cell lengths	79.437, 178.931, 58.412
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.910 - 2.300
R-factor	0.1736
Rwork	0.172
R-free	0.20330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5o9v
RMSD bond length	0.009
RMSD bond angle	0.992
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.910	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.143	0.669
Rmeas	0.152	0.708
Rpim	0.051	0.226
Number of reflections	75369	3619
<I/σ(I)>	12.8
Completeness [%]	99.7	99.8
Redundancy	9.2	9.4
CC(1/2)	0.996	0.875

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	24% PEG8K, 100mM Sodium Citrate pH 5.5, 100mM MgCl2, 100mM NaCl.