8A0S
MTH1 in complex with TH013350
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-05-19 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.8795 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 36.045, 60.482, 66.021 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.070 - 1.400 |
| R-factor | 0.18154 |
| Rwork | 0.180 |
| R-free | 0.21188 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zr0 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.792 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.070 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Number of reflections | 29204 | 1429 |
| <I/σ(I)> | 17.5 | |
| Completeness [%] | 100.0 | |
| Redundancy | 12 | |
| CC(1/2) | 1.000 | 0.774 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 292 | 30% PEG6000, 0.1M Sodium Acetate pH4.0, 0.2 M Lithium Sulfate |
