5WP1
Complex of ERK2 with 5,7-dihydroxychromone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-03-03 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.685, 69.070, 59.845 |
| Unit cell angles | 90.00, 108.14, 90.00 |
Refinement procedure
| Resolution | 56.871 - 1.400 |
| R-factor | 0.1424 |
| Rwork | 0.141 |
| R-free | 0.17960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4zxt |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.895 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.11.1_2575)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.000 | 1.450 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.051 | 0.437 |
| Rpim | 0.032 | 0.307 |
| Number of reflections | 236314 | |
| <I/σ(I)> | 28.6 | 2.23 |
| Completeness [%] | 97.4 | 93.9 |
| Redundancy | 3.3 | 2.8 |
| CC(1/2) | 0.808 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 290 | 1.1-1.3 M ammonium sulfate, 2% PEG500 MME, 0.1 M HEPES/NaOH, crystals soaked in precipitant solution containing 1.5 mM DHC in 2.5% DMSO for one week |
