7AAZ
Crystal structure of MerTK in complex with a type 1.5 aminopyridine inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-08-11 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97627 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 78.629, 78.629, 137.470 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 68.250 - 1.855 |
| R-factor | 0.1892 |
| Rwork | 0.188 |
| R-free | 0.21900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | pdbid 3BRB |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.465 |
| 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] | 68.253 | 68.253 | 1.966 |
| High resolution limit [Å] | 1.855 | 5.465 | 1.855 |
| Rmerge | 0.132 | 0.063 | 2.178 |
| Rmeas | 0.138 | 0.067 | 2.278 |
| Rpim | 0.040 | 0.020 | 0.662 |
| Total number of observations | 15804 | 18945 | |
| Number of reflections | 32643 | 1631 | 1634 |
| <I/σ(I)> | 13.1 | 31.4 | 1.4 |
| Completeness [%] | 95.7 | 99.8 | 59.4 |
| Redundancy | 12.4 | 9.7 | 11.6 |
| CC(1/2) | 0.999 | 0.999 | 0.538 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 293 | 0.1M HEPES pH 6.6, 3.1M NaCl |
