5MTY
Dibenzosuberone inhibitor 8e in complex with p38 MAPK
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 90 |
| Detector technology | PIXEL |
| Collection date | 2016-04-09 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9971 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 67.118, 70.179, 74.860 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 51.200 - 2.310 |
| R-factor | 0.22143 |
| Rwork | 0.219 |
| R-free | 0.27131 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.675 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.200 | 2.440 |
| High resolution limit [Å] | 2.310 | 2.310 |
| Rmeas | 0.200 | 1.168 |
| Number of reflections | 15191 | |
| <I/σ(I)> | 10.1 | 2.7 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 11.7 | 12.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 100 mM MES pH 5.6-6.3 20-30 % PEG4000 25 mM BOG |
