6RQ4
Inhibitor of ERK2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-X |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-09-06 |
| Detector | DECTRIS EIGER X 1M |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.853, 70.933, 60.325 |
| Unit cell angles | 90.00, 109.92, 90.00 |
Refinement procedure
| Resolution | 35.470 - 1.960 |
| R-factor | 0.178 |
| Rwork | 0.175 |
| R-free | 0.23200 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.080 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | BUSTER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.850 | 2.000 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rmeas | 0.055 | 2.020 |
| Number of reflections | 24063 | 1217 |
| <I/σ(I)> | 10.9 | 0.7 |
| Completeness [%] | 86.3 | 73.9 |
| Redundancy | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 291 | 0.25M (NH4)2SO4 33% MPEG 2000 0.02M Mercaptoethanol 0.1M pH=7.2 HEPES/NaOH |
