8I1D
Crystal structure of human MTH1(G2K mutant) in complex with 2-oxo-dATP at pH 7.7
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
Synchrotron site | Photon Factory |
Beamline | AR-NE3A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-11-29 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.145, 47.700, 123.984 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.170 - 1.200 |
R-factor | 0.1375 |
Rwork | 0.136 |
R-free | 0.16300 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.012 |
RMSD bond angle | 1.384 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.170 | 1.270 |
High resolution limit [Å] | 1.200 | 1.200 |
Rmerge | 0.034 | 0.296 |
Number of reflections | 83475 | 12275 |
<I/σ(I)> | 27.9 | |
Completeness [%] | 95.9 | |
Redundancy | 6.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | sodium citrate, tris, NaCl |