8OMD
Crystal structure of mKHK in complex with compound-4
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 | 2016-03-16 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 |
| Unit cell lengths | 47.420, 55.604, 136.632 |
| Unit cell angles | 91.40, 93.10, 115.34 |
Refinement procedure
| Resolution | 47.920 - 2.000 |
| R-factor | 0.237 |
| Rwork | 0.235 |
| R-free | 0.26600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.070 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | BALBES |
| Refinement software | BUSTER |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.920 | 2.020 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.155 | 0.721 |
| Number of reflections | 80891 | 1618 |
| <I/σ(I)> | 4.8 | |
| Completeness [%] | 95.7 | |
| Redundancy | 3.3 | |
| CC(1/2) | 0.992 | 0.707 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 277 | 36 % MPD, 7.5 % PEG 8000, 0.1 M MES pH 5.7 |
