6P10
Structure of spastin AAA domain (N527C mutant) in complex with JNJ-7706621 inhibitor
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 | 2017-09-20 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.9181 |
| Spacegroup name | P 65 |
| Unit cell lengths | 79.393, 79.393, 97.261 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.703 - 2.301 |
| R-factor | 0.2103 |
| Rwork | 0.205 |
| R-free | 0.25180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3b9p |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.632 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.044 | 0.468 |
| Number of reflections | 15364 | 783 |
| <I/σ(I)> | 10.4 | 1.833 |
| Completeness [%] | 99.0 | 99.5 |
| Redundancy | 4.7 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.1 M sodium acetate, pH 5-7, 2% PEG4000, 15% MPD |
