5FSM
MTH1 substrate recognition: Complex with a methylbenzimidazolyl acetamide.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 60.213, 66.199, 36.312 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.310 - 1.670 |
| R-factor | 0.1811 |
| Rwork | 0.179 |
| R-free | 0.21010 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.060 |
| Refinement software | BUSTER (2.11.6) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 60.000 |
| High resolution limit [Å] | 1.700 |
| Rmerge | 0.070 |
| Number of reflections | 14775 |
| Completeness [%] | 85.0 |
| Redundancy | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 25% (W/V) PEG3350 200MM LITHIUM SULPHATE 100MM SODIUM ACETATE PH4.5 |
