3F6Y
Conformational Closure of the Catalytic Site of Human CD38 Induced by Calcium
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 | 2006-06-05 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.978 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 84.687, 60.058, 56.932 |
| Unit cell angles | 90.00, 129.69, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.450 |
| R-factor | 0.1482 |
| Rwork | 0.146 |
| R-free | 0.18416 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yh3 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.326 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.3.0021) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.500 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.044 | 0.326 |
| Number of reflections | 35690 | |
| <I/σ(I)> | 25.28 | 2.08 |
| Completeness [%] | 91.5 | 52.6 |
| Redundancy | 3.3 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 300 | 10% PEG 4000, 100mM MES, 100mM calcium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 300K |
