4CLK
Crystal structure of human soluble Adenylyl Cyclase in complex with alpha,beta-methyleneadenosine-5'-triphosphate
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 | CCD |
| Collection date | 2012-11-14 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 63 |
| Unit cell lengths | 100.250, 100.250, 97.450 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 86.820 - 2.200 |
| R-factor | 0.17905 |
| Rwork | 0.176 |
| R-free | 0.23664 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4clf |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.758 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.770 | 2.250 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.150 | 1.060 |
| Number of reflections | 28304 | |
| <I/σ(I)> | 10.6 | 1.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 5.8 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4 | 100 MM PHOSPHATE/CITRATE PH 4.2, 200 MM NACL, 24 % (W/V) PEG 8000 |
