5MZG
Crystal structure of mouse MTH1 in complex with TH588
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-3 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-3 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-09-03 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 0.96770 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 40.006, 67.708, 123.133 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.600 - 1.850 |
| R-factor | 0.18146 |
| Rwork | 0.180 |
| R-free | 0.21870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zr1 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.503 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.570 | 1.890 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.071 | 0.617 |
| Number of reflections | 29434 | |
| <I/σ(I)> | 16.3 | 3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.5 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 0.2 M potassium thiocyanate and 20% PEG 3350 |
