8BEM
STE20-like serine/threonine-protein kinase (SLK) in complex with Tivozanib
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-05-02 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.000031 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.012, 107.280, 129.400 |
| Unit cell angles | 90.00, 95.32, 90.00 |
Refinement procedure
| Resolution | 48.730 - 2.600 |
| R-factor | 0.2236 |
| Rwork | 0.222 |
| R-free | 0.25510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6hvd |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.401 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 49.520 | 49.520 | 2.690 |
| High resolution limit [Å] | 2.600 | 10.400 | 2.600 |
| Rmerge | 0.134 | 0.044 | 1.025 |
| Rmeas | 0.145 | 0.047 | 1.103 |
| Rpim | 0.054 | 0.018 | 0.405 |
| Total number of observations | 341607 | 5585 | 32295 |
| Number of reflections | 48206 | 798 | 4436 |
| <I/σ(I)> | 11 | 31 | 2.2 |
| Completeness [%] | 99.2 | 99 | 99.6 |
| Redundancy | 7.1 | 7 | 7.3 |
| CC(1/2) | 0.997 | 0.999 | 0.769 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 20% PEG 3350 0.2M Na2SO4 10% Ethylene Glycol 0.1M bis-tris propane 7.5 |
