8OMF
Crystal structure of hKHK-C in complex with compound-4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-04-16 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.999950 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 83.360, 86.890, 137.910 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 60.150 - 2.140 |
| R-factor | 0.229 |
| Rwork | 0.228 |
| R-free | 0.25400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.060 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | BALBES |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.150 | 2.359 |
| High resolution limit [Å] | 2.140 | 2.351 |
| Rmerge | 0.076 | 1.488 |
| Number of reflections | 47967 | 1993 |
| <I/σ(I)> | 14.7 | 2.1 |
| Completeness [%] | 100.0 | 97.1 |
| Redundancy | 6.1 | 6.9 |
| CC(1/2) | 1.000 | 0.619 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 277 | 20% PEG 3350 and 0.1 mM BIS-TRIS Propane pH 7.5 |
