6P11
Structure of spastin AAA domain (T692A 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 | 2018-10-13 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.9201 |
Spacegroup name | P 65 |
Unit cell lengths | 79.446, 79.446, 97.171 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 39.688 - 2.150 |
R-factor | 0.215347370249 |
Rwork | 0.213 |
R-free | 0.24098 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3b9p |
RMSD bond length | 0.002 |
RMSD bond angle | 0.413 |
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 | 2.190 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.035 | 0.391 |
Number of reflections | 18983 | 940 |
<I/σ(I)> | 10.6 | 2.667 |
Completeness [%] | 99.8 | 99.9 |
Redundancy | 5.5 | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.1 M sodium acetate, pH 5.0-7.0, 2% PEG4000, 15% MPD |