7AAX
Crystal structure of MerTK kinase domain in complex with LDC1267
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 | 2016-07-22 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 92.725, 92.787, 70.994 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 65.588 - 1.762 |
| R-factor | 0.2016 |
| Rwork | 0.199 |
| R-free | 0.25320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3brb |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.502 |
| 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] | 65.588 | 65.588 | 1.893 |
| High resolution limit [Å] | 1.762 | 5.367 | 1.762 |
| Rmerge | 0.038 | 0.030 | 0.717 |
| Rmeas | 0.042 | 0.032 | 0.811 |
| Rpim | 0.016 | 0.013 | 0.367 |
| Total number of observations | 6753 | 4651 | |
| Number of reflections | 23363 | 1167 | 1169 |
| <I/σ(I)> | 19 | 42.6 | 1.5 |
| Completeness [%] | 89.1 | 98.6 | 42.9 |
| Redundancy | 6 | 5.8 | 4 |
| CC(1/2) | 1.000 | 0.999 | 0.702 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 293 | 0.05M Tris pH 7.5, 4.4M NaCl |
