7BDO
MAPK14 bound with SR302
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-07-14 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97950 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 65.458, 72.549, 76.259 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 52.620 - 2.700 |
| R-factor | 0.241 |
| Rwork | 0.239 |
| R-free | 0.28670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5lar |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.352 |
| Data reduction software | Aimless (0.7.4) |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 76.260 | 76.260 | 2.780 |
| High resolution limit [Å] | 2.650 | 8.790 | 2.650 |
| Rmerge | 0.181 | 0.075 | 0.601 |
| Rmeas | 0.198 | 0.083 | 0.659 |
| Rpim | 0.077 | 0.034 | 0.264 |
| Total number of observations | 71929 | 2030 | 8934 |
| Number of reflections | 11015 | 357 | 1423 |
| <I/σ(I)> | 7.7 | 13.1 | 3 |
| Completeness [%] | 99.6 | 99.8 | 99.6 |
| Redundancy | 6.5 | 5.7 | 6.3 |
| CC(1/2) | 0.980 | 0.992 | 0.936 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.2 | 277 | 22,5% MMW PgSmear 0.1M MES |
