2ZMD
Crystal structure of human Mps1 catalytic domain T686A mutant in complex with SP600125 inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 94 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-09-11 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 70.600, 105.170, 111.970 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.490 - 2.880 |
| R-factor | 0.22314 |
| Rwork | 0.221 |
| R-free | 0.26050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2zmc |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.023 |
| 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] | 59.760 | 3.040 |
| High resolution limit [Å] | 2.880 | 2.880 |
| Rmerge | 0.107 | 0.798 |
| Number of reflections | 9729 | |
| <I/σ(I)> | 11.7 | 1.5 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 3.1 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | PEG300, HEPES, pH6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
