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8QFF

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

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID23-2
Synchrotron siteESRF
BeamlineID23-2
Temperature [K]100
Detector technologyPIXEL
Collection date2021-02-25
DetectorDECTRIS PILATUS3 X 2M
Wavelength(s)0.8731
Spacegroup nameC 2 2 21
Unit cell lengths54.455, 146.435, 104.920
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution60.040 - 2.100
R-factor0.1885
Rwork0.187
R-free0.21860
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.009
RMSD bond angle0.994
Data reduction softwareXDS
Refinement softwarePHENIX (1.20.1_4487)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]60.0402.160
High resolution limit [Å]2.1002.100
Number of reflections249562002
<I/σ(I)>7.2
Completeness [%]100.0100
Redundancy10.911.3
CC(1/2)0.9970.501
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP27750% 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

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