5O9T

HsNMT1 in complex with CoA and acetylated-NCFSKPK peptide

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	2016-04-01
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9660
Spacegroup name	P 2 21 21
Unit cell lengths	58.221, 79.641, 178.991
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.750 - 2.150
R-factor	0.1674
Rwork	0.165
R-free	0.21580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4c2z
RMSD bond length	0.008
RMSD bond angle	0.947
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]	48.800	2.270
High resolution limit [Å]	2.150	2.150
Rpim	0.039	0.190
Number of reflections	46155	4517
<I/σ(I)>	14.7	4.6
Completeness [%]	100.0	100
Redundancy	6.6	6.2
CC(1/2)	0.998	0.902

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	21% PEG 6000, 0.1M sodium citrate pH 5.6, 0.1M Magnesium chloride, 0.1M sodium chloride.