6GES
Crystal structure of ERK1 covalently bound to SM1-71
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-04-18 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.99986 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.974, 94.041, 64.916 |
| Unit cell angles | 90.00, 91.80, 90.00 |
Refinement procedure
| Resolution | 47.020 - 2.070 |
| R-factor | 0.17177 |
| Rwork | 0.170 |
| R-free | 0.21261 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4qtb |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.402 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.020 | 2.130 |
| High resolution limit [Å] | 2.070 | 2.070 |
| Rmerge | 0.061 | 0.786 |
| Number of reflections | 44884 | 3496 |
| <I/σ(I)> | 13.5 | 2 |
| Completeness [%] | 98.9 | 99.3 |
| Redundancy | 5.4 | 5.4 |
| CC(1/2) | 0.999 | 0.799 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277.14 | 34% PEG 4k, 0.2M Li2SO4, 0.1M tris 7.5 |
