2O3S
Structural Basis for Formation and Hydrolysis of Calcium Messenger Cyclic ADP-ribose by Human CD38
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 | 2005-07-11 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.977 |
| Spacegroup name | P 1 |
| Unit cell lengths | 42.350, 53.786, 66.826 |
| Unit cell angles | 104.97, 91.71, 95.04 |
Refinement procedure
| Resolution | 20.000 - 1.500 |
| R-factor | 0.19128 |
| Rwork | 0.189 |
| R-free | 0.23826 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yh3 |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.654 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.3.0017) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.389 | |
| Number of reflections | 78040 | |
| Completeness [%] | 87.0 | 41.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 300 | 100 mM MES, 13% PEG4000, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 300K |
