8OME
Crystal structure of hKHK-A in complex with compound-4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-09-20 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 |
| Unit cell lengths | 66.151, 73.564, 82.685 |
| Unit cell angles | 82.24, 72.81, 74.23 |
Refinement procedure
| Resolution | 61.300 - 2.000 |
| Rwork | 0.201 |
| R-free | 0.23100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| 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] | 61.300 | 2.035 |
| High resolution limit [Å] | 2.000 | 2.028 |
| Number of reflections | 81531 | 81531 |
| <I/σ(I)> | 9.5 | |
| Completeness [%] | 87.9 | |
| Redundancy | 1.9 | |
| CC(1/2) | 1.000 | 0.800 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 277 | 15 % PEG 3350, 0.1 M ammonium formate pH 4.5 |
