8QFG

Cryogenic crystal structure of the Photoactivated Adenylate Cyclase OaPAC after 5 seconds of blue light illumination

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-10-01
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.0332
Spacegroup name	C 2 2 21
Unit cell lengths	52.511, 141.425, 104.732
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.080 - 1.700
R-factor	0.2106
Rwork	0.210
R-free	0.22990
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.112
Data reduction software	XDS
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.080	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.033	0.864
Rmeas	0.036	0.944
Rpim	0.014	0.373
Number of reflections	42861	2140
<I/σ(I)>	34.9	2.7
Completeness [%]	99.2	95.7
Redundancy	13.3	12
CC(1/2)	1.000	0.939

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