8QFE

Cryogenic crystal structure of the Photoactivated Adenylate Cyclase OaPAC

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	2022-02-23
Detector	DECTRIS PILATUS3 X 2M
Wavelength(s)	0.8731
Spacegroup name	C 2 2 21
Unit cell lengths	52.856, 146.202, 103.595
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.220 - 1.500
R-factor	0.1655
Rwork	0.164
R-free	0.18870
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.186
Data reduction software	XDS
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.860	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.050
Rmeas	0.055
Rpim	0.021
Number of reflections	64596	3212
<I/σ(I)>	25	2.3
Completeness [%]	100.0	100
Redundancy	13	12.8
CC(1/2)	1.000	0.846

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