4NXO
Crystal Structure of Insulin Degrading Enzyme in complex with BDM44768
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 65 |
| Unit cell lengths | 262.909, 262.909, 86.337 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 43.820 - 2.730 |
| R-factor | 0.171 |
| Rwork | 0.170 |
| R-free | 0.21900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3cww |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.761 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.800 |
| High resolution limit [Å] | 2.730 | 2.750 |
| Rmerge | 0.137 | |
| Number of reflections | 90103 | |
| <I/σ(I)> | 10.81 | 1.96 |
| Completeness [%] | 99.0 | 100 |
| Redundancy | 4.9 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 291.15 | 0.1M HEPES, pH 7.0, 10% Tacsimate, 10%Dioxane, 10% PEG-5000, VAPOR DIFFUSION, HANGING DROP, temperature 291.15K |
