6FI3
Crystal structure of ERK2 in complex with an adenosine derivative
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-05-03 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97268 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.564, 69.957, 59.529 |
| Unit cell angles | 90.00, 108.56, 90.00 |
Refinement procedure
| Resolution | 46.038 - 1.520 |
| R-factor | 0.1522 |
| Rwork | 0.150 |
| R-free | 0.19830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qyz |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.20) |
| Phasing software | PHENIX |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 46.038 | 46.038 | 1.570 |
| High resolution limit [Å] | 1.520 | 5.890 | 1.520 |
| Rmerge | 0.036 | 0.523 | |
| Rmeas | 0.059 | 0.047 | 0.663 |
| Rpim | 0.036 | 0.029 | 0.402 |
| Total number of observations | 133136 | 2339 | 13267 |
| Number of reflections | 55670 | 978 | 5475 |
| <I/σ(I)> | 10.2 | 23.6 | 1.9 |
| Completeness [%] | 96.1 | 93 | 96.9 |
| Redundancy | 2.4 | 2.4 | 2.4 |
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 |
