7AB2
Crystal structure of MerTK kinase domain in complex with UNC2025
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-02-07 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.979499 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 91.849, 92.040, 71.621 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.139 - 1.780 |
| R-factor | 0.196 |
| Rwork | 0.193 |
| R-free | 0.24970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | pdbid 3BRB |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.517 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.139 | 48.139 | 1.962 |
| High resolution limit [Å] | 1.778 | 5.848 | 1.778 |
| Rmerge | 0.037 | 0.018 | 1.075 |
| Rmeas | 0.040 | 0.019 | 1.181 |
| Rpim | 0.016 | 0.008 | 0.483 |
| Total number of observations | 5477 | 5299 | |
| Number of reflections | 18168 | 907 | 908 |
| <I/σ(I)> | 21 | 66.5 | 1.5 |
| Completeness [%] | 93.8 | 99.6 | 64 |
| Redundancy | 6.6 | 6 | 5.8 |
| CC(1/2) | 1.000 | 1.000 | 0.635 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 293 | 0.1M Tris pH 8.5, 4.3M NaCl |
