2BW7
A novel mechanism for adenylyl cyclase inhibition from the crystal structure of its complex with catechol estrogen
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.400, 70.200, 106.700 |
| Unit cell angles | 90.00, 96.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 2.300 |
| R-factor | 0.207 |
| Rwork | 0.207 |
| R-free | 0.25700 |
| Structure solution method | OTHER |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.200 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | CNS |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 39.000 |
| High resolution limit [Å] | 2.300 |
| Rmerge | 0.060 |
| Number of reflections | 35639 |
| Completeness [%] | 98.5 |
| Redundancy | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
