9KRZ
Crystal structure Of MerTK kinase domain in complex with compound 11
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 | 2021-03-15 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.577, 91.427, 68.947 |
| Unit cell angles | 90.00, 100.38, 90.00 |
Refinement procedure
| Resolution | 28.790 - 2.600 |
| R-factor | 0.2235 |
| Rwork | 0.221 |
| R-free | 0.26720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3tcp |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.635 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.710 |
| High resolution limit [Å] | 2.600 | 2.620 |
| Rmerge | 0.072 | 0.442 |
| Number of reflections | 18871 | 1729 |
| <I/σ(I)> | 14.7 | 2.26 |
| Completeness [%] | 98.8 | |
| Redundancy | 5.4 | |
| CC(1/2) | 0.997 | 0.843 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.1 | 291 | 36% PEG 200, 0.05 M Calcium chloride dehydrate, 0.1 M MES monohydrate pH 7.1 |
