8QR8
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 | 49.000, 70.590, 60.780 |
| Unit cell angles | 90.00, 109.66, 90.00 |
Refinement procedure
| Resolution | 28.510 - 1.610 |
| R-factor | 0.1579 |
| Rwork | 0.156 |
| R-free | 0.20020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.406 |
| 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] | 38.620 | 1.640 |
| High resolution limit [Å] | 1.610 | 1.610 |
| Rmerge | 0.125 | 0.639 |
| Rmeas | 0.149 | 0.754 |
| Rpim | 0.080 | 0.396 |
| Total number of observations | 174451 | 8811 |
| Number of reflections | 50322 | 2508 |
| <I/σ(I)> | 6.1 | 1.9 |
| Completeness [%] | 99.6 | |
| Redundancy | 3.5 | 3.5 |
| CC(1/2) | 0.978 | 0.715 |
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 |
