4XP0
Crystal structure of ERK2 in complex with an inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-11-03 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.872600 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.910, 70.790, 60.410 |
| Unit cell angles | 90.00, 108.99, 90.00 |
Refinement procedure
| Resolution | 28.631 - 1.460 |
| R-factor | 0.1916 |
| Rwork | 0.190 |
| R-free | 0.21400 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.100 |
| 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] | 28.631 | 28.859 | 1.540 |
| High resolution limit [Å] | 1.460 | 4.620 | 1.460 |
| Rmerge | 0.031 | 0.028 | 0.480 |
| Rmeas | 0.049 | ||
| Rpim | 0.033 | 0.030 | 0.485 |
| Total number of observations | 144557 | 4931 | 18245 |
| Number of reflections | 64331 | ||
| <I/σ(I)> | 9.5 | 24.6 | 1.3 |
| Completeness [%] | 95.4 | 98.6 | 85.7 |
| Redundancy | 2.2 | 2.3 | 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 |
