4XRJ
Crystal structure of ERK2 in complex with an inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 298 |
| Detector technology | CCD |
| Collection date | 2014-07-03 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9797 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.155, 71.480, 60.760 |
| Unit cell angles | 90.00, 108.70, 90.00 |
Refinement procedure
| Resolution | 44.800 - 1.690 |
| R-factor | 0.1381 |
| Rwork | 0.136 |
| R-free | 0.18000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.456 |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 44.800 |
| High resolution limit [Å] | 1.690 |
| Number of reflections | 39592 |
| <I/σ(I)> | 3.6 |
| Completeness [%] | 93.0 |
| Redundancy | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | MES 100mM pH 6.5, (NH4)2SO4 200mM, beta-mercaptoethanol 20mM and 26% (w/v) PEG MME2000 |
