7OWH

Odinarchaeota Adenylate kinase (OdinAK) native structure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-03-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9762
Spacegroup name	P 21 21 21
Unit cell lengths	77.761, 77.772, 217.611
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.080 - 1.850
R-factor	0.1974
Rwork	0.195
R-free	0.24460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7owe
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.080	1.880
High resolution limit [Å]	1.850	1.850
Rmerge	0.116	2.028
Rpim	0.047	0.813
Number of reflections	113276	11096
<I/σ(I)>	11.7	1.4
Completeness [%]	100.0
Redundancy	13.6
CC(1/2)	0.997	0.646

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	291	Bis-Tris Propane pH 7.0, 0.1 M, PEG 3350 12%, CuCl2 83 microM. Protein stored in 0.030 M MOPS, 0.05 M NaCl, pH 6.8