7OWU

HsNMT1 in complex with both CoA and Myr-ANCFSKPR 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)	0.96600
Spacegroup name	C 1 2 1
Unit cell lengths	92.296, 58.076, 156.053
Unit cell angles	90.00, 90.16, 90.00

Refinement procedure

Resolution	46.860 - 2.080
R-factor	0.1809
Rwork	0.179
R-free	0.22330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4c2y
RMSD bond length	0.004
RMSD bond angle	0.791
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17_3644)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.900	2.140
High resolution limit [Å]	2.080	2.080
Rpim	0.038	0.167
Number of reflections	166966	12891
<I/σ(I)>	13	4.3
Completeness [%]	99.6	99.9
Redundancy	3.4	3.3
CC(1/2)	0.997	0.937

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	21% PEG 8K, 100mM Sodium Acetate 4.6