5O9S

HsNMT1 in complex with CoA and Myristoylated-GKSNSKLK octapeptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-02-04
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9660
Spacegroup name	P 2 21 21
Unit cell lengths	58.022, 80.252, 178.147
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.617 - 2.700
R-factor	0.1776
Rwork	0.175
R-free	0.22740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4c2z
RMSD bond length	0.004
RMSD bond angle	0.584
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]	48.620	2.830
High resolution limit [Å]	2.700	2.700
Rpim	0.054	0.137
Number of reflections	23547	3050
<I/σ(I)>	11.3	4.8
Completeness [%]	99.3	98.3
Redundancy	6.9	5.4
CC(1/2)	0.994	0.934

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	22% PEG 6000, 0.1M sodium citrate pH 5.6, 0.1M magnesium chloride, 0.2M sodium chloride