3HMP
Crystal structure of human Mps1 catalytic domain in complex with a quinazolin ligand Compound 4
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 | 71.370, 103.930, 111.730 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 60.150 - 2.300 |
| R-factor | 0.2117 |
| Rwork | 0.210 |
| R-free | 0.24762 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2zmd |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.170 |
| 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] | 60.150 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.073 | 0.390 |
| Number of reflections | 18501 | |
| <I/σ(I)> | 17.7 | 3 |
| Completeness [%] | 98.4 | 90.3 |
| Redundancy | 6.3 | 3.9 |
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 |
