6SOV
Fragments KCL_615 and KCL_802 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 | 2018-01-29 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.92 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 80.893, 102.685, 103.687 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 63.540 - 1.310 |
| R-factor | 0.2216 |
| Rwork | 0.221 |
| R-free | 0.23650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6so1 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.830 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 63.540 | 1.330 |
| High resolution limit [Å] | 1.310 | 1.310 |
| Number of reflections | 103341 | 5009 |
| <I/σ(I)> | 12.3 | 1.5 |
| Completeness [%] | 99.9 | 98.1 |
| Redundancy | 6.4 | 6.2 |
| CC(1/2) | 0.999 | 0.519 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 15% PEG400, 5% PEG550-MME, 0.1M calcium acetate, 0.1M MES pH6.0 |
