4RE9
Crystal structure of human insulin degrading enzyme (IDE) in complex with compound 71290
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 65 |
| Unit cell lengths | 262.981, 262.981, 90.508 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.699 - 2.908 |
| R-factor | 0.1606 |
| Rwork | 0.159 |
| R-free | 0.21290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3cww |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.896 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.950 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.164 | |
| Number of reflections | 78721 | |
| <I/σ(I)> | 11.4 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 5.3 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291.15 | 10% PEG5000, 100 mM HEPES, 14% Tacsimate, 10% dioxane, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 291.15K |
