9KS9
Crystal structure of MerTK kinase domain in complex with compound 6
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE TPS 05A |
| Synchrotron site | NSRRC |
| Beamline | TPS 05A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-02-25 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 0.99984 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.560, 91.350, 69.840 |
| Unit cell angles | 90.00, 101.00, 90.00 |
Refinement procedure
| Resolution | 34.280 - 2.800 |
| R-factor | 0.2118 |
| Rwork | 0.206 |
| R-free | 0.26030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3tcp |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.620 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.675 | 3.530 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmeas | 0.125 | 0.253 |
| Number of reflections | 14613 | 2383 |
| <I/σ(I)> | 14.39 | 6.77 |
| Completeness [%] | 92.8 | 94.7 |
| Redundancy | 9.8 | 9.7 |
| CC(1/2) | 0.992 | 0.976 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.4 | 291 | 24% PEG 200, 0.05 M Calcium chloride dehydrate, 0.1 M MES monohydrate pH 6.4 |
