6YDX
Insulin-regulated aminopeptidase complexed with a macrocyclic peptidic inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P13 (MX1) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-06-24 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 73.419, 118.631, 141.389 |
| Unit cell angles | 90.00, 102.77, 90.00 |
Refinement procedure
| Resolution | 45.960 - 3.200 |
| R-factor | 0.2774 |
| Rwork | 0.277 |
| R-free | 0.31420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5mj6 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.328 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.960 | 3.118 |
| High resolution limit [Å] | 3.010 | 3.011 |
| Number of reflections | 45866 | 240 |
| <I/σ(I)> | 3.55 | 0.43 |
| Completeness [%] | 69.7 | |
| Redundancy | 3 | |
| CC(1/2) | 0.977 | 0.153 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5 | 289 | PEG 1500, SPG (succinic acid, phosphate, glycine) buffer |
