9MBL
2-Oxo-dATP hydrolysis in human MTH1(G2K mutant) crystal using Mn2+: the ES-2M complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-17A |
Synchrotron site | Photon Factory |
Beamline | BL-17A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-11-03 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.98 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.503, 47.357, 123.631 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.220 - 1.370 |
R-factor | 0.1361 |
Rwork | 0.134 |
R-free | 0.18100 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.005 |
RMSD bond angle | 0.969 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.220 | 1.390 |
High resolution limit [Å] | 1.370 | 1.370 |
Rmerge | 0.058 | 0.295 |
Number of reflections | 57873 | 2845 |
<I/σ(I)> | 31.6 | |
Completeness [%] | 100.0 | |
Redundancy | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | sodium citrate, cacodylate, NaCl |