6Y7W
Fragment KCL_1337 in complex with MAP kinase p38-alpha
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-09-22 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.91587 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 80.881, 102.043, 103.947 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 63.830 - 1.390 |
| R-factor | 0.1959 |
| Rwork | 0.195 |
| R-free | 0.21880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6sov |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.851 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 63.830 | 1.410 |
| High resolution limit [Å] | 1.390 | 1.390 |
| Number of reflections | 86376 | 4293 |
| <I/σ(I)> | 14.8 | 1.1 |
| Completeness [%] | 100.0 | 99.7 |
| Redundancy | 6.4 | 6 |
| CC(1/2) | 1.000 | 0.700 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 15% PEG400, 5% PEG550-MME, 0.1M REMARK 280 CALCIUM ACETATE, 0.1M MES PH6.0 |
