6FRP
Crystal structure of ERK2 in complex with an adenosine derivative
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-04-17 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97968 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.674, 70.029, 59.520 |
| Unit cell angles | 90.00, 108.56, 90.00 |
Refinement procedure
| Resolution | 23.072 - 1.530 |
| R-factor | 0.1635 |
| Rwork | 0.161 |
| R-free | 0.21020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qyz |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.19) |
| Phasing software | REFMAC |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 23.072 | 24.225 | 1.610 |
| High resolution limit [Å] | 1.530 | 4.840 | 1.530 |
| Rmerge | 0.035 | 0.025 | 0.501 |
| Rmeas | 0.049 | 0.056 | 0.764 |
| Rpim | 0.033 | 0.039 | 0.483 |
| Total number of observations | 118340 | 3558 | 18328 |
| Number of reflections | 55458 | 1717 | 8160 |
| <I/σ(I)> | 14.6 | 56.7 | 1 |
| Completeness [%] | 97.1 | 92.3 | 98.3 |
| Redundancy | 2.1 | 2.1 | 2.2 |
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 |
