5IV4
Crystal structure of the human soluble adenylyl cyclase in complex with the allosteric inhibitor LRE1
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 | 2015-02-04 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.918007 |
| Spacegroup name | P 63 |
| Unit cell lengths | 99.298, 99.298, 99.386 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.420 - 1.790 |
| R-factor | 0.162 |
| Rwork | 0.160 |
| R-free | 0.20626 |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.079 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.420 | 1.900 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmerge | 0.115 | 1.192 |
| Number of reflections | 599809 | |
| <I/σ(I)> | 16.3 | 2.07 |
| Completeness [%] | 99.9 | 99.5 |
| Redundancy | 11.4 | 11.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277.15 | 100 mM sodium acetate pH 4.8 200 mM tri-sodium-citrate 15% (w/v) PEG 4000 10% (v/v) glycerol |
