6G54
Crystal structure of ERK2 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 | 2018-02-24 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 91.751, 91.751, 99.305 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.650 - 2.050 |
| R-factor | 0.18507 |
| Rwork | 0.183 |
| R-free | 0.22096 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4qta |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.348 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0218) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.650 | 2.120 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.057 | 0.911 |
| Number of reflections | 30813 | 2978 |
| <I/σ(I)> | 16.1 | 2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.9 | 8 |
| CC(1/2) | 0.999 | 0.783 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.9 | 277.15 | 0.9M Li2SO4 and 0.1M citrate 5.9 |
