7OAM
Kinase domain of MERTK in complex with compound 8
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 | 2018-04-18 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.487, 91.315, 69.680 |
| Unit cell angles | 90.00, 100.78, 90.00 |
Refinement procedure
| Resolution | 45.660 - 2.650 |
| R-factor | 0.2235 |
| Rwork | 0.222 |
| R-free | 0.25740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4m3q |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.382 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 45.660 | 45.660 | 2.780 |
| High resolution limit [Å] | 2.650 | 8.790 | 2.650 |
| Rmerge | 0.177 | 0.090 | 1.055 |
| Rmeas | 0.194 | 0.098 | 1.158 |
| Rpim | 0.079 | 0.040 | 0.469 |
| Total number of observations | 3194 | 14387 | |
| Number of reflections | 18384 | 528 | 2451 |
| <I/σ(I)> | 6.2 | 13.3 | 1.8 |
| Completeness [%] | 99.2 | 99.5 | 99.4 |
| Redundancy | 5.9 | 6 | 5.9 |
| CC(1/2) | 0.988 | 0.989 | 0.673 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 35% PEG 400, 0.2M MgCl2, 0.1M Tris |
