8CO7
Crystal structure of human soluble adenylyl cyclase (sAC) in complex with inhibitor TDI-09066
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-01-19 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 63 |
| Unit cell lengths | 99.291, 99.291, 99.403 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 32.500 - 1.900 |
| R-factor | 0.1919 |
| Rwork | 0.191 |
| R-free | 0.23350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.856 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.14) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.500 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmeas | 0.168 | |
| Number of reflections | 42660 | 3656 |
| <I/σ(I)> | 8.8 | |
| Completeness [%] | 95.7 | 68.8 |
| Redundancy | 6.4 | |
| CC(1/2) | 0.997 | 0.130 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 277 | 0.1 M sodium acetate pH 4.8, 0.2 M trisodium citrate, 15%(w/v) PEG 4000, 10%(v/v) glycerol |
