5O9V

HsNMT1 in complex with CoA and Myristoylated-GGCFSKPK octapeptide

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	2015-06-04
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.96112
Spacegroup name	P 2 21 21
Unit cell lengths	58.130, 79.010, 178.255
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.689 - 2.201
R-factor	0.1667
Rwork	0.165
R-free	0.20560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4c2z
RMSD bond length	0.003
RMSD bond angle	0.675
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.690	2.320
High resolution limit [Å]	2.200	2.200
Rpim	0.027	0.136
Number of reflections	42368	4029
<I/σ(I)>	24.5	5.6
Completeness [%]	99.7	98.2
Redundancy	9.6	8.3
CC(1/2)	0.999	0.930

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	22% PEG8000, 0.1M sodium citrate pH5.6, 0.1 M magnesium chloride, 0.1M sodium chloride