4F45
Crystal structure of human CD38 E226Q mutant in complex with NAADP
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 | 2009-12-28 |
| Detector | MX225 |
| Wavelength(s) | 0.97916 |
| Spacegroup name | P 1 |
| Unit cell lengths | 41.694, 54.565, 63.420 |
| Unit cell angles | 109.67, 91.11, 93.68 |
Refinement procedure
| Resolution | 50.000 - 2.100 |
| R-factor | 0.1735 |
| Rwork | 0.171 |
| R-free | 0.22630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.523 |
| 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] | 50.000 | 50.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 4.520 | 2.100 |
| Rmerge | 0.062 | 0.047 | 0.266 |
| Number of reflections | 28795 | ||
| <I/σ(I)> | 15.6 | ||
| Completeness [%] | 94.0 | 97.9 | 77.8 |
| Redundancy | 3.6 | 3.8 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4 | 298 | 0.1M sodium acetate pH 4.0, 12% PEG 20K, vapor diffusion, hanging drop, temperature 298K |
