8QR7
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 ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-12-11 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979288 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.680, 70.320, 60.300 |
| Unit cell angles | 90.00, 109.75, 90.00 |
Refinement procedure
| Resolution | 30.910 - 1.510 |
| R-factor | 0.146 |
| Rwork | 0.144 |
| R-free | 0.18810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.070 |
| 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] | 37.030 | 1.530 |
| High resolution limit [Å] | 1.510 | 1.510 |
| Rmerge | 0.062 | 0.505 |
| Rmeas | 0.073 | 0.611 |
| Rpim | 0.038 | 0.337 |
| Total number of observations | 213315 | 7846 |
| Number of reflections | 59438 | 2641 |
| <I/σ(I)> | 13.2 | 2.2 |
| Completeness [%] | 98.3 | |
| Redundancy | 3.6 | 3 |
| CC(1/2) | 0.997 | 0.721 |
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 |
