5D0R
Crystal structure of human soluble Adenylyl Cyclase with the inhibitor bithionol
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 | 2014-12-10 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.918 |
| Spacegroup name | P 63 |
| Unit cell lengths | 99.403, 99.403, 99.978 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 86.230 - 2.240 |
| R-factor | 0.1806 |
| Rwork | 0.177 |
| R-free | 0.24370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4clk |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.177 |
| Data reduction software | MOSFLM |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0124) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 86.230 | 2.370 |
| High resolution limit [Å] | 2.240 | 2.240 |
| Rmerge | 0.014 | 0.089 |
| Number of reflections | 27051 | |
| <I/σ(I)> | 11.9 | 1.7 |
| Completeness [%] | 100.0 | 99 |
| Redundancy | 5.1 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | 0.1 M SODIUM ACETATE PH 4.8, 0.2 M TRI-SODIUM-CITRATE, 15% (W/V) PEG 4000, 10% (V/V) GLYCEROL |
