5NHH
Human Erk2 with an Erk1/2 inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-03-11 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.850, 70.490, 61.460 |
| Unit cell angles | 90.00, 111.81, 90.00 |
Refinement procedure
| Resolution | 44.350 - 1.940 |
| R-factor | 0.183 |
| Rwork | 0.180 |
| R-free | 0.22000 |
| 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] | 44.350 | 1.990 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Rmerge | 0.063 | 0.522 |
| Rpim | 0.048 | 0.503 |
| Number of reflections | 28525 | 2112 |
| <I/σ(I)> | 14.8 | 2.1 |
| Completeness [%] | 99.2 | 99.6 |
| Redundancy | 3.2 | 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 |
