4ZZM
Human ERK2 in complex with an irreversible inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Detector | DECTRIS PILATUS |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.880, 70.310, 60.410 |
| Unit cell angles | 90.00, 109.12, 90.00 |
Refinement procedure
| Resolution | 46.180 - 1.890 |
| R-factor | 0.2104 |
| Rwork | 0.207 |
| R-free | 0.25440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.990 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.6) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.180 | 1.940 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Rmerge | 0.090 | 0.570 |
| Number of reflections | 30202 | |
| <I/σ(I)> | 8.1 | 1.9 |
| Completeness [%] | 97.5 | 96.1 |
| Redundancy | 3.2 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
