8A3A
MTH1 in complex with TH013074
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX IV BEAMLINE BioMAX |
| Synchrotron site | MAX IV |
| Beamline | BioMAX |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-04-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 36.090, 60.580, 66.656 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.830 - 1.600 |
| R-factor | 0.16527 |
| Rwork | 0.164 |
| R-free | 0.19313 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zr0 |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.115 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.600 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 19980 | 975 |
| <I/σ(I)> | 25.3 | |
| Completeness [%] | 100.0 | |
| Redundancy | 12.6 | |
| CC(1/2) | 0.997 | 0.986 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 292 | 32 % PEG 6000, 0.1 M sodium acetate trihydrate pH 3.7, 0.2 M lithium sulfate |
