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 |