5NHL
Human Erk2 with an Erk1/2 inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-07-18 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.910, 71.340, 61.160 |
| Unit cell angles | 90.00, 111.05, 90.00 |
Refinement procedure
| Resolution | 44.570 - 2.070 |
| R-factor | 0.211 |
| Rwork | 0.209 |
| R-free | 0.23700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.970 |
| 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] | 44.570 | 2.120 |
| High resolution limit [Å] | 2.070 | 2.070 |
| Rmerge | 0.075 | 0.340 |
| Rpim | 0.072 | 0.469 |
| Number of reflections | 23548 | 1774 |
| <I/σ(I)> | 8.3 | 2.7 |
| Completeness [%] | 98.1 | 98.9 |
| Redundancy | 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 |
