6BYZ
Structure of Cysteine-free Human Insulin-Degrading Enzyme in complex with Substrate-selective Macrocyclic Inhibitor 37
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 12.3.1 |
| Synchrotron site | ALS |
| Beamline | 12.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-10-09 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.116 |
| Spacegroup name | P 65 |
| Unit cell lengths | 264.486, 264.486, 91.094 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.480 - 2.956 |
| R-factor | 0.162016770659 |
| Rwork | 0.161 |
| R-free | 0.20263 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4lte |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.843 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.480 | 3.062 |
| High resolution limit [Å] | 2.956 | 2.956 |
| Number of reflections | 148881 | 7521 |
| <I/σ(I)> | 16.34 | 1.91 |
| Completeness [%] | 99.8 | 98.88 |
| Redundancy | 12.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 298 | 0.1 M HEPES, 12% Tacsimate, 20% PEGMME-5000, 10% 1,4-dioxane |
