6FMA
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 | 2011-05-03 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.93930 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.660, 70.040, 59.640 |
| Unit cell angles | 90.00, 108.62, 90.00 |
Refinement procedure
| Resolution | 43.101 - 1.667 |
| R-factor | 0.1455 |
| Rwork | 0.143 |
| R-free | 0.18560 |
| 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] | 43.113 | 43.984 | 1.760 |
| High resolution limit [Å] | 1.667 | 5.270 | 1.667 |
| Rmerge | 0.019 | 0.019 | 0.112 |
| Rmeas | 0.028 | 0.027 | 0.152 |
| Rpim | 0.017 | 0.017 | 0.090 |
| Total number of observations | 117411 | 3793 | 16480 |
| Number of reflections | 43003 | 1440 | 5902 |
| <I/σ(I)> | 19 | 35.1 | 4.8 |
| Completeness [%] | 97.1 | 99.1 | 92.1 |
| Redundancy | 2.7 | 2.6 | 2.8 |
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 |
