3ZWN
Crystal structure of Aplysia cyclase complexed with substrate NGD and product cGDPR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-05-19 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.494, 57.852, 71.303 |
| Unit cell angles | 90.00, 100.94, 90.00 |
Refinement procedure
| Resolution | 25.000 - 1.800 |
| R-factor | 0.17914 |
| Rwork | 0.176 |
| R-free | 0.23278 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1r12 |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.071 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.080 | 0.550 |
| Number of reflections | 48804 | |
| <I/σ(I)> | 17.5 | 1.4 |
| Completeness [%] | 94.0 | 69.4 |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 0.1M IMIDAZOLE, PH 7.5, 12-14% PEG 4000. |
