5ANT
Potent and selective inhibitors of MTH1 probe its role in cancer cell survival
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-02-11 |
| Detector | ADSC QUANTUM 210 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 105.074, 120.115, 53.058 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 120.000 - 2.000 |
| R-factor | 0.216 |
| Rwork | 0.214 |
| R-free | 0.25100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.203 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.200 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.089 | 0.323 |
| Number of reflections | 44330 | |
| <I/σ(I)> | 5.6 | 2.2 |
| Completeness [%] | 99.7 | 99.9 |
| Redundancy | 3.6 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
