3I9J
Crystal structure of ADP ribosyl cyclase complexed with a substrate analog and a product nicotinamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE A1 |
| Synchrotron site | CHESS |
| Beamline | A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-07-16 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9777 |
| Spacegroup name | P 61 |
| Unit cell lengths | 57.121, 57.121, 364.683 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.180 |
| R-factor | 0.19932 |
| Rwork | 0.197 |
| R-free | 0.24781 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1lbe |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.931 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.4.0067) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.260 |
| High resolution limit [Å] | 2.180 | 2.180 |
| Number of reflections | 33025 | |
| Completeness [%] | 93.9 | 70.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.1M imidazole, pH 7.5, 12-24% PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
