3DZJ
Crystal structure of human CD38 extracellular domain E226Q mutant, NMN complex
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 | 2006-02-21 |
| Detector | ADSC QUANTUM 210 |
| Spacegroup name | P 1 |
| Unit cell lengths | 41.858, 53.228, 65.670 |
| Unit cell angles | 106.11, 91.97, 95.03 |
Refinement procedure
| Resolution | 20.000 - 1.900 |
| R-factor | 0.188 |
| Rwork | 0.185 |
| R-free | 0.24100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yh3 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.772 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.980 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.090 | 0.436 |
| Number of reflections | 41633 | |
| <I/σ(I)> | 21.2 | 2.9 |
| Completeness [%] | 97.5 | 95.2 |
| Redundancy | 3.8 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | 298 | 100 mM MES pH 6.0, 15% PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
