9RPK

Apo structure of Arabidopsis thaliana nicotinate mononucleotide adenylyltransferase

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	2021-07-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.976
Spacegroup name	P 65 2 2
Unit cell lengths	43.563, 43.563, 435.017
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.730 - 2.150
R-factor	0.234
Rwork	0.233
R-free	0.25630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.541
Data reduction software	MOSFLM (7.2.2)
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.730	2.230
High resolution limit [Å]	2.150	2.150
Rmerge	0.200	0.769
Rpim	0.042	0.218
Number of reflections	14722	14322
<I/σ(I)>	9.6	2.2
Completeness [%]	99.8	99.79
Redundancy	20	11.5
CC(1/2)	0.996	0.889

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