5ANV
MTH1 in complex with compound 15
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 | 2014-08-06 |
| Detector | DECTRIS PILATUS |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 60.390, 66.090, 36.160 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.580 - 1.160 |
| R-factor | 0.2041 |
| Rwork | 0.204 |
| R-free | 0.21140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.040 |
| 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] | 44.600 | 1.190 |
| High resolution limit [Å] | 1.160 | 1.160 |
| Rmerge | 0.040 | 0.580 |
| Number of reflections | 50884 | |
| <I/σ(I)> | 19.8 | 2.6 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.2 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.5 | PH 4.5 |
