7K1F
Crystal structure of human insulin degrading enzyme (IDE) in complex with compound BDM_88558
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 | PIXEL |
| Collection date | 2019-11-13 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 65 |
| Unit cell lengths | 265.540, 265.540, 90.057 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.990 - 2.600 |
| R-factor | 0.1703 |
| Rwork | 0.170 |
| R-free | 0.20820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ifh |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.120 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.18.2_3874)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.650 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Number of reflections | 208480 | 5572 |
| <I/σ(I)> | 20.6 | |
| Completeness [%] | 100.0 | |
| Redundancy | 20 | |
| CC(1/2) | 0.997 | 0.741 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291.15 | 10% PEG 5000, 100mM HEPES, 14% Tacsimate, 10% Dioxane, pH 7.0 |
