6W0N
Structure of KHK in complex with compound 2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-10-19 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 82.800, 86.170, 137.130 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.280 - 2.410 |
| R-factor | 0.185 |
| Rwork | 0.184 |
| R-free | 0.20400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5wbm |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.150 |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 137.130 | 2.540 |
| High resolution limit [Å] | 2.406 | 2.406 |
| Number of reflections | 38668 | 5439 |
| <I/σ(I)> | 16.5 | |
| Completeness [%] | 99.5 | |
| Redundancy | 6 | |
| CC(1/2) | 0.999 | 0.820 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 295 | 17% PEG 8000, 100 mM Na citrate, pH 4.5, and 0.2 M ammonium sulfate |
