7MU7
Ask1 bound to compound 3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 93 |
| Detector technology | PIXEL |
| Collection date | 2019-11-01 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 77.050, 77.050, 419.380 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.265 - 2.298 |
| R-factor | 0.2071 |
| Rwork | 0.205 |
| R-free | 0.24160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bf2 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.845 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.000 | 2.380 |
| High resolution limit [Å] | 2.298 | 2.300 |
| Rmerge | 0.100 | |
| Number of reflections | 34330 | 3290 |
| <I/σ(I)> | 21.87 | |
| Completeness [%] | 99.0 | |
| Redundancy | 18.5 | |
| CC(1/2) | 0.990 | 0.660 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 0.1M BisTRIS pH 5.5, 0.2M ammonium acetate, 3% sorbitol and 12% PEG3350 |
