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 |