3P5S
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 | 2007-04-25 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.11587 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.205, 80.029, 157.725 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.014 - 1.950 |
| R-factor | 0.209 |
| Rwork | 0.205 |
| R-free | 0.25150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gc6 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.192 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 78.800 |
| High resolution limit [Å] | 1.950 |
| Number of reflections | 39086 |
| <I/σ(I)> | 1 |
| Completeness [%] | 90.0 |
| Redundancy | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 20-30% PEG 4000, 50-250 mM AMMONIUM SULFATE, 100 MM SODIUM CACODYLATE OR SODIUM ACETATE OR MES AT PH-6.0-6.5, pH 6.0 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
