7AUV
The structure of ERK2 in complex with dual inhibitor ASTX029
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-X |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-05-10 |
| Detector | DECTRIS EIGER R 1M |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.001, 71.049, 60.920 |
| Unit cell angles | 90.00, 110.50, 90.00 |
Refinement procedure
| Resolution | 30.160 - 1.760 |
| R-factor | 0.17 |
| Rwork | 0.167 |
| R-free | 0.22900 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.013 |
| 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] | 44.490 | 1.770 |
| High resolution limit [Å] | 1.760 | 1.760 |
| Rmeas | 0.063 | 0.800 |
| Number of reflections | 32724 | 234 |
| <I/σ(I)> | 12.3 | |
| Completeness [%] | 84.9 | 80.9 |
| Redundancy | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 291 | 0.2M (NH4)2SO4 32% MPEG 2000 .02M Mercaptoethanol .1M pH=7.2 HEPES/NaOH |
