2PGL
Catalysis associated conformational changes revealed by human CD38 complexed with a non-hydrolyzable substrate analog
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 | 2006-05-01 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 1 |
| Unit cell lengths | 41.866, 53.195, 65.706 |
| Unit cell angles | 105.79, 92.07, 95.20 |
Refinement procedure
| Resolution | 20.000 - 1.760 |
| R-factor | 0.21139 |
| Rwork | 0.210 |
| R-free | 0.24471 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2o3t |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.415 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.3.0021) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.810 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.071 | 0.547 |
| Number of reflections | 51667 | |
| <I/σ(I)> | 1.87 | |
| Completeness [%] | 96.6 | 90.6 |
| Redundancy | 3.7 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 300 | 100 mM MES, pH 6.0, and 15% PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 300K |
