2F8P
Crystal structure of obelin following Ca2+ triggered bioluminescence suggests neutral coelenteramide as the primary excited state
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 200 |
| Detector technology | CCD |
| Collection date | 2005-06-08 |
| Detector | MARRESEARCH |
| Spacegroup name | P 43 |
| Unit cell lengths | 64.260, 64.260, 63.049 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.740 - 1.930 |
| R-factor | 0.1924 |
| Rwork | 0.190 |
| R-free | 0.22997 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1sl7 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.461 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 64.280 | 1.930 |
| High resolution limit [Å] | 1.870 | 1.860 |
| Rmerge | 0.069 | 0.260 |
| Number of reflections | 17133 | |
| <I/σ(I)> | 25 | 1.66 |
| Completeness [%] | 80.3 | 17.3 |
| Redundancy | 5.2 | 1.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 277 | 2% PEG 400, 2.0 M ammonium sulfate, 0.1 M HEPES-Na , pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277.0K, pH 7.50 |
