5ANU
MTH1 in complex with compound 15
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-11-24 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 60.210, 66.830, 36.090 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.730 - 1.800 |
| R-factor | 0.20933 |
| Rwork | 0.207 |
| R-free | 0.25745 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.554 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.700 | 1.910 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.080 | 0.410 |
| Number of reflections | 13086 | |
| <I/σ(I)> | 10.3 | 2.2 |
| Completeness [%] | 93.6 | 92.4 |
| Redundancy | 4.1 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.5 | PH 4.5 |
