5IV3
Crystal structure of human soluble adenylyl cyclase in complex with alpha,beta-methyleneadenosine-5'-triphosphate and 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 | 2015-09-08 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.918409 |
| Spacegroup name | P 63 |
| Unit cell lengths | 100.032, 100.032, 98.658 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.610 - 1.860 |
| R-factor | 0.17806 |
| Rwork | 0.176 |
| R-free | 0.22308 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4clk |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.035 |
| 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] | 44.610 | 1.980 |
| High resolution limit [Å] | 1.860 | 1.860 |
| Rmerge | 0.122 | 1.281 |
| Number of reflections | 46795 | |
| <I/σ(I)> | 10.2 | 1.3 |
| Completeness [%] | 99.9 | 99.7 |
| Redundancy | 4.6 | 4.4 |
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 |
