7ZTK

NME1 in complex with CoA

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	2018-11-17
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.966
Spacegroup name	P 1 21 1
Unit cell lengths	54.173, 69.450, 116.296
Unit cell angles	90.00, 90.06, 90.00

Refinement procedure

Resolution	49.130 - 2.600
R-factor	0.2733
Rwork	0.273
R-free	0.28930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ui4
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.130	2.693
High resolution limit [Å]	2.600	2.600
Rmerge	0.254	1.046
Rmeas	0.307	1.253
Rpim	0.170	0.684
Number of reflections	26764	2649
<I/σ(I)>	3.37	0.84
Completeness [%]	99.2	98.53
Redundancy	3.2	3.3
CC(1/2)	0.945	0.542

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	36% PEG 3350, 0.2M Mg(NO3)