9R59
Crystal structure of MAPKAPK2 with a covalent compound GCL334 targeting lysine
This is a non-PDB format compatible entry.
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 | 2024-07-01 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.976269 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 102.745, 102.745, 167.683 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.170 - 3.000 |
| R-factor | 0.20214 |
| Rwork | 0.201 |
| R-free | 0.22901 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.721 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.370 | 3.180 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Number of reflections | 11099 | 1741 |
| <I/σ(I)> | 6.9 | 2.2 |
| Completeness [%] | 99.9 | |
| Redundancy | 38.7 | |
| CC(1/2) | 0.984 | 0.733 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 1M succinic acid, 1% PEG2000 MME, 0.1M HEPES pH 7.0 |
