6JVT
Crystal structure of human MTH1 in complex with compound MI1030
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13C1 |
| Synchrotron site | NSRRC |
| Beamline | BL13C1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-10-02 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.204, 67.712, 79.571 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.784 - 1.801 |
| R-factor | 0.1894 |
| Rwork | 0.186 |
| R-free | 0.23010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.893 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 3.880 | 1.800 |
| Rmerge | 0.065 | 0.031 | 0.464 |
| Rmeas | 0.075 | 0.036 | 0.535 |
| Rpim | 0.036 | 0.018 | 0.263 |
| Number of reflections | 30146 | 3201 | 2890 |
| <I/σ(I)> | 10.3 | ||
| Completeness [%] | 99.5 | 99 | 97.6 |
| Redundancy | 4.3 | 3.9 | 3.9 |
| CC(1/2) | 0.998 | 0.822 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 3.75 | 298 | 30% PEG 6000, 200 mM Lithium sulphate, 100 mM Sodium acetate pH 3.75 |
