8QFF

Cryogenic crystal structure of the Photoactivated Adenylate Cyclase OaPAC with ATP bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-25
Detector	DECTRIS PILATUS3 X 2M
Wavelength(s)	0.8731
Spacegroup name	C 2 2 21
Unit cell lengths	54.455, 146.435, 104.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.040 - 2.100
R-factor	0.1885
Rwork	0.187
R-free	0.21860
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.994
Data reduction software	XDS
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.040	2.160
High resolution limit [Å]	2.100	2.100
Number of reflections	24956	2002
<I/σ(I)>	7.2
Completeness [%]	100.0	100
Redundancy	10.9	11.3
CC(1/2)	0.997	0.501

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	50% protein at 10 mg/mL : 50 mM TRIS/HCl pH 8.5, 50 mM sodium chloride, 5 mM ATP 50% crystallization buffer : 100 mM SPG buffer pH 7.0, 1.2 M disodium succinate, 100 mM guanidine hydrochloride, 5 mM magnesium chloride