4F46
Crystal structure of wild type human CD38 in complex with NAADP and ADPRP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-09-29 |
| Detector | MX225 |
| Wavelength(s) | 0.97623 |
| Spacegroup name | P 1 |
| Unit cell lengths | 41.848, 53.683, 63.380 |
| Unit cell angles | 110.35, 91.42, 94.53 |
Refinement procedure
| Resolution | 50.000 - 1.690 |
| R-factor | 0.1679 |
| Rwork | 0.166 |
| R-free | 0.19480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yh3 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.209 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 100.000 | 100.000 | 1.760 |
| High resolution limit [Å] | 1.690 | 3.660 | 1.700 |
| Rmerge | 0.079 | 0.067 | 0.213 |
| Number of reflections | 53940 | ||
| <I/σ(I)> | 17.2 | ||
| Completeness [%] | 95.0 | 99.2 | 68.5 |
| Redundancy | 7.1 | 7.8 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4 | 298 | 0.1M sodium acetate pH 4.0, 15% PEG 10K, 0.2M ammonium acetate, 3% isopropanol, vapor diffusion, hanging drop, temperature 298K |
