9RPM

Structure of Arabidopsis thaliana nicotinate mononucleotide adenylyltransferase in complex with nicotinate mononucleotide (NaMN)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.976
Spacegroup name	P 65 2 2
Unit cell lengths	43.347, 43.347, 433.508
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.540 - 2.660
R-factor	0.2636
Rwork	0.261
R-free	0.30480
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.002
RMSD bond angle	0.408
Data reduction software	XDS (BUILT=20210323)
Data scaling software	Aimless (0.7.4)
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.540	2.760
High resolution limit [Å]	2.660	2.660
Rmerge	0.139	0.922
Rpim	0.041	0.535
Number of reflections	7846	678
<I/σ(I)>	11.7	1.8
Completeness [%]	98.5	87.93
Redundancy	12.4	12.7
CC(1/2)	1.000	0.950

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	100 mM TRIS pH 8-9, 100-200 mM MgCl2, and 20-40% (w/v) poly ethylene glycol.