6AA3
Crystal structure of MTH1 in apo form (cocktail No. 1)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-03-03 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 66.948, 66.948, 141.114 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.488 - 2.001 |
| R-factor | 0.2123 |
| Rwork | 0.210 |
| R-free | 0.25710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5fsi |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.019 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.10.1-2155_1069: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.300 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rpim | 0.024 | 0.236 |
| Number of reflections | 11045 | 1018 |
| <I/σ(I)> | 18 | |
| Completeness [%] | 98.1 | 91.3 |
| Redundancy | 10.5 | 10.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 25% PEG3350, 1.8 mM ZnSO4, 6% sucrose, 0.1 M Bis-Tris pH 6.1 |
