4TMF
Crystal structure of human CD38 in complex with hydrolysed compound JMS713
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 | 2012-11-08 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97852 |
| Spacegroup name | P 1 |
| Unit cell lengths | 41.690, 54.128, 63.319 |
| Unit cell angles | 108.58, 90.98, 93.98 |
Refinement procedure
| Resolution | 47.120 - 2.050 |
| R-factor | 0.1996 |
| Rwork | 0.198 |
| R-free | 0.22700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yh3 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.426 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.120 |
| High resolution limit [Å] | 2.050 | 4.420 | 2.050 |
| Rmerge | 0.046 | 0.033 | 0.528 |
| Total number of observations | 126045 | ||
| Number of reflections | 31966 | ||
| <I/σ(I)> | 14.8 | ||
| Completeness [%] | 97.6 | 95.9 | 97.3 |
| Redundancy | 3.9 | 3.9 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4 | 298 | 0.1M sodium acetate pH4.0, 0.2M ammonium acetate, 3% isopropanol, 15% PEG10000 |
