4XP2
Crystal structure of ERK2 in complex with an inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-05-19 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97970 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.637, 70.314, 59.827 |
| Unit cell angles | 90.00, 108.93, 90.00 |
Refinement procedure
| Resolution | 28.295 - 1.748 |
| R-factor | 0.1873 |
| Rwork | 0.185 |
| R-free | 0.22630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qyw |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.951 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | PHENIX (1.6.4_486) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.500 | 1.830 |
| High resolution limit [Å] | 1.740 | 1.740 |
| Rmerge | 0.035 | 0.289 |
| Number of reflections | 69472 | |
| <I/σ(I)> | 11.9 | 1.4 |
| Completeness [%] | 89.7 | 89.6 |
| Redundancy | 1.8 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 26% PEG MME 2000, 0.1M MES pH 6.5, 0.1M ammonium sulfate, 0.02M beta-mercaptoethanol |
