5NHV
Human Erk2 with an Erk1/2 inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-06-16 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.883, 70.597, 60.988 |
| Unit cell angles | 90.00, 110.43, 90.00 |
Refinement procedure
| Resolution | 45.810 - 2.000 |
| R-factor | 0.1858 |
| Rwork | 0.183 |
| R-free | 0.22830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.000 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.6) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.600 | 2.310 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.072 | 0.368 |
| Rpim | 0.067 | 0.340 |
| Number of reflections | 25618 | 8914 |
| <I/σ(I)> | 11.2 | 3.5 |
| Completeness [%] | 97.4 | 97.1 |
| Redundancy | 3.4 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 30% PegMME2K, 100mM HEPES pH 7.6, 200mM Ammonium sulfate |
