5NHF
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 | 2013-11-21 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.019, 70.047, 60.363 |
| Unit cell angles | 90.00, 109.31, 90.00 |
Refinement procedure
| Resolution | 44.200 - 2.140 |
| R-factor | 0.248 |
| Rwork | 0.247 |
| R-free | 0.25900 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.220 |
| 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] | 46.260 | 2.220 |
| High resolution limit [Å] | 2.140 | 2.140 |
| Rmerge | 0.089 | 0.792 |
| Rpim | 0.056 | 0.561 |
| Number of reflections | 20963 | 1989 |
| <I/σ(I)> | 9.5 | 1.6 |
| Completeness [%] | 98.2 | 96.4 |
| Redundancy | 3.2 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 30% PegMME2K, 100mM HEPES pH 7.6, 200mM Ammonium sulfate |
