6HKN
Crystal structure of Compound 35 with ERK5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-04-05 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.99982 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 92.488, 92.488, 113.585 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 71.720 - 2.330 |
| R-factor | 0.2091 |
| Rwork | 0.207 |
| R-free | 0.24910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.164 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 71.720 | 2.580 |
| High resolution limit [Å] | 2.330 | 2.330 |
| Rmerge | 0.051 | 0.446 |
| Number of reflections | 21662 | |
| <I/σ(I)> | 20.3 | |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 5.5 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 15% PEG 4000, 100mM MgCl2, 180mM Sodium formate, 100 mM MES pH 6.5, 10mM Tris pH 8.0 |
