8QR4
Crystal structure of ERK2 in complex with a covalently bound macrocyclic ligand
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2021-12-11 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979288 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.620, 70.340, 60.520 |
| Unit cell angles | 90.00, 109.78, 90.00 |
Refinement procedure
| Resolution | 30.920 - 1.920 |
| R-factor | 0.1907 |
| Rwork | 0.189 |
| R-free | 0.22420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.704 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.920 | 1.970 |
| High resolution limit [Å] | 1.920 | 1.920 |
| Rmerge | 0.122 | 0.578 |
| Rmeas | 0.146 | 0.692 |
| Rpim | 0.079 | 0.374 |
| Total number of observations | 99502 | 6911 |
| Number of reflections | 29397 | 1999 |
| <I/σ(I)> | 6.1 | 2 |
| Completeness [%] | 99.8 | |
| Redundancy | 3.4 | 3.5 |
| CC(1/2) | 0.959 | 0.494 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291.15 | PEG MME 2000, 0.1M MES pH 6.5, 0.1M ammonium sulfate, 0.02M beta-mercaptoethanol |
