5NHO
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, 71.800, 61.250 |
| Unit cell angles | 90.00, 111.43, 90.00 |
Refinement procedure
| Resolution | 21.180 - 2.240 |
| R-factor | 0.201 |
| Rwork | 0.198 |
| R-free | 0.23100 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.080 |
| 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] | 21.180 | 2.300 |
| High resolution limit [Å] | 2.240 | 2.240 |
| Rmerge | 0.058 | 0.612 |
| Rpim | 0.055 | 0.571 |
| Number of reflections | 18618 | 1351 |
| <I/σ(I)> | 10.9 | 1.7 |
| Completeness [%] | 97.9 | 97.7 |
| 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 |
