6FQ7
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 | 2013-09-26 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.97630 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.830, 70.110, 59.850 |
| Unit cell angles | 90.00, 108.65, 90.00 |
Refinement procedure
| Resolution | 44.090 - 1.600 |
| R-factor | 0.1391 |
| Rwork | 0.137 |
| R-free | 0.18020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qyz |
| Data reduction software | iMOSFLM |
| 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] | 56.707 | 44.090 | 1.680 |
| High resolution limit [Å] | 1.600 | 5.050 | 1.600 |
| Rmerge | 0.040 | 0.313 | |
| Rmeas | 0.073 | 0.047 | 0.371 |
| Rpim | 0.038 | 0.025 | 0.196 |
| Total number of observations | 183884 | 5490 | 23331 |
| Number of reflections | 50205 | 1580 | 6910 |
| <I/σ(I)> | 12.5 | 23.1 | 3.4 |
| Completeness [%] | 98.9 | 95.1 | 93.4 |
| Redundancy | 3.7 | 3.5 | 3.4 |
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 |
