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 |