4XP3
Crystal structure of ERK2 in complex with an inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-12-07 |
| Detector | MAR scanner 300 mm plate |
| Wavelength(s) | 1.542 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.600, 69.683, 59.819 |
| Unit cell angles | 90.00, 108.91, 90.00 |
Refinement procedure
| Resolution | 23.198 - 1.782 |
| R-factor | 0.1503 |
| Rwork | 0.149 |
| R-free | 0.17890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qyw |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.021 |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.600 | 1.870 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.037 | 0.149 |
| Number of reflections | 55297 | |
| <I/σ(I)> | 9.1 | 4.6 |
| Completeness [%] | 95.1 | 79.9 |
| Redundancy | 2 | 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 |
