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 |