3HMO
Crystal structure of human Mps1 catalytic domain in complex with the inhibitor staurosporine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-09-14 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9200 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 70.940, 103.880, 111.420 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 59.840 - 2.400 |
| R-factor | 0.21742 |
| Rwork | 0.215 |
| R-free | 0.26128 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2zmd |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.041 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.840 | 2.530 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.093 | 0.496 |
| Number of reflections | 16228 | |
| <I/σ(I)> | 19.1 | 5 |
| Completeness [%] | 98.6 | 91 |
| Redundancy | 6.7 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 20 % PEG 300, 0.1 M HEPES, 2.5 % Isopropanol, 5 % Glycerol, 50 mM Ammonium sulphate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
