7OWE

Odinarchaeota Adenylate kinase (OdinAK) in complex with inhibitor Ap5a

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	2019-09-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9762
Spacegroup name	P 21 21 21
Unit cell lengths	69.781, 143.164, 158.714
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	71.582 - 2.750
R-factor	0.2285
Rwork	0.226
R-free	0.27390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ki9
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	71.600	2.850
High resolution limit [Å]	2.750	2.750
Rmerge	0.135	1.980
Rpim	0.056	0.846
Number of reflections	42150	4139
<I/σ(I)>	9.3	1.2
Completeness [%]	100.0	100
Redundancy	13.1	12.5
CC(1/2)	0.994	0.626

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	Drop E7 PACT Screen: 0.2 M NaAc, 20% PEG 3550.