8UG1
Crystal structure of KHK-C and compound 13
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-05-01 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9774 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 82.583, 86.793, 136.432 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 59.900 - 1.990 |
| R-factor | 0.17412 |
| Rwork | 0.173 |
| R-free | 0.20477 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.896 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.900 | 2.090 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Rmerge | 0.045 | 0.581 |
| Number of reflections | 68419 | 9857 |
| <I/σ(I)> | 18.2 | |
| Completeness [%] | 100.0 | |
| Redundancy | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 295 | Polyethylene glycol 8,000, Ammonium Sulfate, tri-Sodium citrate |
