5ANW
MTH1 in complex with compound 24
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-07-04 |
| Detector | DECTRIS PILATUS |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 61.130, 66.070, 35.980 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.860 - 1.370 |
| R-factor | 0.2003 |
| Rwork | 0.199 |
| R-free | 0.22530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.970 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | AMoRE |
| Refinement software | BUSTER (2.11.6) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.100 | 1.410 |
| High resolution limit [Å] | 1.370 | 1.370 |
| Rmerge | 0.050 | 0.400 |
| Number of reflections | 25048 | |
| <I/σ(I)> | 24.6 | 4.8 |
| Completeness [%] | 80.0 | 17 |
| Redundancy | 5 | 1.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.5 | pH 4.5 |
