6FXV
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 | 2013-07-04 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00046 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.788, 70.583, 59.850 |
| Unit cell angles | 90.00, 109.02, 90.00 |
Refinement procedure
| Resolution | 43.329 - 1.530 |
| R-factor | 0.1544 |
| Rwork | 0.152 |
| R-free | 0.19320 |
| 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] | 43.329 | 43.329 | 1.580 |
| High resolution limit [Å] | 1.530 | 5.930 | 1.530 |
| Rmerge | 0.057 | 0.546 | |
| Rmeas | 0.074 | 0.072 | 0.698 |
| Rpim | 0.045 | 0.043 | 0.430 |
| Total number of observations | 127711 | 2270 | 9014 |
| Number of reflections | 51825 | 945 | 3980 |
| <I/σ(I)> | 9.2 | 18.1 | 1.9 |
| Completeness [%] | 89.8 | 91.4 | 70.8 |
| Redundancy | 2.5 | 2.4 | 2.3 |
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 |
