3GC6
Structural insights into the catalytic mechanism of CD38: Evidence for a conformationally flexible covalent enzyme-substrate complex.
Experimental procedure
| Experimental method | 1.11587 |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 77 |
| Detector technology | CCD |
| Collection date | 2007-04-25 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.033, 80.164, 152.536 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.950 - 1.510 |
| R-factor | 0.18894 |
| Rwork | 0.187 |
| R-free | 0.21020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yh3 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.265 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.4.0067) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 80.100 | 1.610 |
| High resolution limit [Å] | 1.510 | 1.510 |
| Number of reflections | 74734 | |
| <I/σ(I)> | 16.9 | 1.5 |
| Completeness [%] | 82.0 | 33 |
| Redundancy | 3.3 | 1.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 20-30% PEG 4000, 50-250mM Ammonium Sulfate, 100 mM sodium cacodylate or sodium acetate or MES at pH-6.0-6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
