8QRB
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 ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-12-11 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.872600 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.810, 70.730, 60.420 |
| Unit cell angles | 90.00, 109.32, 90.00 |
Refinement procedure
| Resolution | 23.370 - 1.510 |
| R-factor | 0.1782 |
| Rwork | 0.177 |
| R-free | 0.20930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.887 |
| 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] | 26.440 | 1.540 |
| High resolution limit [Å] | 1.510 | 1.510 |
| Rmerge | 0.093 | 0.835 |
| Rmeas | 0.107 | 0.970 |
| Rpim | 0.053 | 0.489 |
| Total number of observations | 240042 | 11671 |
| Number of reflections | 60803 | 2995 |
| <I/σ(I)> | 9.1 | 2 |
| Completeness [%] | 99.9 | |
| Redundancy | 3.9 | 3.9 |
| CC(1/2) | 0.994 | 0.599 |
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 |
