5NHJ
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 | 49.025, 71.158, 61.398 |
| Unit cell angles | 90.00, 112.03, 90.00 |
Refinement procedure
| Resolution | 45.450 - 2.120 |
| R-factor | 0.202 |
| Rwork | 0.201 |
| R-free | 0.20700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| 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] | 45.450 | 2.200 |
| High resolution limit [Å] | 2.120 | 2.120 |
| Rmerge | 0.077 | 0.723 |
| Rpim | 0.073 | 0.674 |
| Number of reflections | 21741 | 1920 |
| <I/σ(I)> | 10.6 | 1.5 |
| Completeness [%] | 97.7 | 87.8 |
| Redundancy | 3.3 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 30% PegMME2K, 100mM HEPES pH 7.6, 200mM Ammonium sulfate |
