3I9K
Crystal structure of ADP ribosyl cyclase complexed with substrate NAD
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 | 2007-04-01 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9771 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.501, 58.317, 71.515 |
| Unit cell angles | 90.00, 101.20, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.830 |
| R-factor | 0.17753 |
| Rwork | 0.175 |
| R-free | 0.23112 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1lbe |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.047 |
| 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] | 30.000 | 1.900 |
| High resolution limit [Å] | 1.830 | 1.830 |
| Number of reflections | 47800 | |
| Completeness [%] | 97.2 | 84.1 |
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 |
