8V5H
Crystal structure of MASTL Kinase domain in complex with an inhibitor
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-06-09 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 107.079, 107.079, 148.909 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 92.730 - 2.740 |
| R-factor | 0.254 |
| Rwork | 0.253 |
| R-free | 0.28090 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.020 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | DIMPLE |
| Refinement software | BUSTER (2.11.8 (24-FEB-2021)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 92.730 | 3.020 |
| High resolution limit [Å] | 2.740 | 2.740 |
| Rmerge | 0.124 | 1.873 |
| Rpim | 0.029 | 0.419 |
| Number of reflections | 8249 | 411 |
| <I/σ(I)> | 16 | 1.8 |
| Completeness [%] | 94.4 | 86.2 |
| Redundancy | 19.2 | 20.7 |
| CC(1/2) | 0.999 | 0.723 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 10.5 | 277 | mixing 1:1 - protein (at 6.0 mg/mL) with reservoir containing 0.1 M CAPS (pH 10.5), 0.2 M sodium chloride and 20% w/v PEG 8000 |
