3KOU
Structural insights into the catalytic mechanism of CD38: Evidence for a conformationally flexible covalent enzyme-substrate complex.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 130 |
| Detector technology | CCD |
| Collection date | 2007-05-06 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.11587 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.721, 81.287, 150.909 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.644 - 1.780 |
| R-factor | 0.203 |
| Rwork | 0.200 |
| R-free | 0.24300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gh3 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.204 |
| Data reduction software | MOSFLM |
| Data scaling software | ELVES-SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 75.400 | 1.880 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.099 | 0.775 |
| Number of reflections | 52041 | |
| <I/σ(I)> | 8 | 1.5 |
| Completeness [%] | 93.0 | 82 |
| Redundancy | 3.5 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 20-25% PEG 4000, 50-250 mM ammonium sulfate, 100 mM Mes, pH 6-6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
