5AX3
Crystal structure of ERK2 complexed with allosteric and ATP-competitive inhibitors.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-12-14 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 43.835, 66.465, 116.871 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.886 - 2.984 |
| R-factor | 0.2387 |
| Rwork | 0.236 |
| R-free | 0.28460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2fys |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.753 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.890 | 3.160 |
| High resolution limit [Å] | 2.980 | 2.980 |
| Rmerge | 0.080 | 0.693 |
| Number of reflections | 13356 | |
| <I/σ(I)> | 14.7 | 2.25 |
| Completeness [%] | 99.5 | 97.9 |
| Redundancy | 3.9 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 277 | PEG3350, Sodium chloride |
