5NGU
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 | 2013-08-01 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.980, 71.050, 60.610 |
| Unit cell angles | 90.00, 110.02, 90.00 |
Refinement procedure
| Resolution | 35.500 - 2.740 |
| R-factor | 0.266 |
| Rwork | 0.267 |
| R-free | 0.26200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4zzn |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.240 |
| 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] | 35.500 | 2.810 |
| High resolution limit [Å] | 2.740 | 2.740 |
| Rmerge | 0.141 | 0.537 |
| Rpim | 0.135 | 0.506 |
| Number of reflections | 4698 | 743 |
| <I/σ(I)> | 6.9 | 1.9 |
| Completeness [%] | 97.3 | 97.9 |
| Redundancy | 3.2 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 30% PegMME2K, 100mM HEPES pH 7.6, 200mM Ammonium sulfate |
