9FLO
Crystal structure of human Haspin (GSG2) kinase bound to MU2181
This is a non-PDB format compatible entry.
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 | 2022-01-02 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.999990 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 76.244, 77.134, 84.682 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.710 - 2.900 |
| R-factor | 0.21403 |
| Rwork | 0.212 |
| R-free | 0.24678 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.405 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.710 | 3.080 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Number of reflections | 11504 | 1835 |
| <I/σ(I)> | 9.2 | |
| Completeness [%] | 99.3 | |
| Redundancy | 6.6 | |
| CC(1/2) | 0.999 | 0.818 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 55-65% MPD, 0.1M SPG 6.5 |
