6TND
X-RAY STRUCTURE OF MPS1 IN COMPLEX WITH COMPOUND 79
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-07-08 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9184 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 71.130, 107.800, 112.896 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.910 - 2.580 |
| R-factor | 0.1897 |
| Rwork | 0.186 |
| R-free | 0.24940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 2.014 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.910 | 2.730 |
| High resolution limit [Å] | 2.580 | 2.580 |
| Rmerge | 0.067 | 0.484 |
| Number of reflections | 14027 | 1943 |
| <I/σ(I)> | 7.1 | |
| Completeness [%] | 99.9 | |
| Redundancy | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 295 | 10% PEG 3350, 180mM Magnesium formate, 25% glycerol |
