6P14
Structure of spastin AAA domain (T692A mutant) in complex with a diaminotriazole-based inhibitor (crystal form B)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-1 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-06-28 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.9201 |
| Spacegroup name | P 65 |
| Unit cell lengths | 105.294, 105.294, 65.391 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 34.466 - 1.930 |
| R-factor | 0.177671751698 |
| Rwork | 0.175 |
| R-free | 0.19932 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3b9p |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.393 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.960 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Rmerge | 0.039 | 0.439 |
| Number of reflections | 31162 | 1549 |
| <I/σ(I)> | 12.4 | 2.957 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 5.8 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.1 M sodium acetate, pH 5.0-6.5, 2% PEG4000, 15% MPD |
