6FJ0
Crystal structure of ERK2 in complex with an adenosine derivative
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 | 2011-08-26 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.93930 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.550, 69.790, 59.370 |
| Unit cell angles | 90.00, 108.63, 90.00 |
Refinement procedure
| Resolution | 43.800 - 1.659 |
| R-factor | 0.1674 |
| Rwork | 0.166 |
| R-free | 0.19430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qyz |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA (3.2.19) |
| Phasing software | PHENIX |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 43.811 | 46.029 | 1.750 |
| High resolution limit [Å] | 1.659 | 5.250 | 1.659 |
| Rmerge | 0.029 | 0.022 | 0.162 |
| Rmeas | 0.040 | 0.030 | 0.232 |
| Rpim | 0.024 | 0.018 | 0.139 |
| Total number of observations | 123021 | 4334 | 17335 |
| Number of reflections | 44257 | 1466 | 6308 |
| <I/σ(I)> | 12.2 | 25.2 | 3.3 |
| Completeness [%] | 99.5 | 99.9 | 98 |
| Redundancy | 2.8 | 3 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | PEG MME 2000, 0.1M MES pH 6.5, 0.1M ammonium sulfate, 0.02M beta-mercaptoethanol, 0.002M magnesium sulfate |
