4ZZO
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 |
| Collection date | 2014-02-17 |
| Detector | DECTRIS PILATUS |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.750, 70.070, 60.100 |
| Unit cell angles | 90.00, 109.25, 90.00 |
Refinement procedure
| Resolution | 38.470 - 1.630 |
| R-factor | 0.1913 |
| Rwork | 0.185 |
| R-free | 0.23730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.010 |
| 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] | 38.470 | 1.670 |
| High resolution limit [Å] | 1.630 | 1.630 |
| Rmerge | 0.070 | 0.570 |
| Number of reflections | 47270 | |
| <I/σ(I)> | 9.9 | 2.1 |
| Completeness [%] | 99.3 | 98.8 |
| Redundancy | 3.3 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
