5OTN
Crystal structure of zebrafish MTH1 in complex with O6-methyl-dGMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-12-19 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.92819 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 44.528, 55.379, 65.920 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.320 - 0.990 |
| R-factor | 0.1211 |
| Rwork | 0.121 |
| R-free | 0.13331 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5hzx |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.629 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.320 | 1.010 |
| High resolution limit [Å] | 0.990 | 0.990 |
| Rmerge | 0.063 | 0.930 |
| Number of reflections | 90549 | 4198 |
| <I/σ(I)> | 14.1 | 1.3 |
| Completeness [%] | 99.2 | 94.9 |
| Redundancy | 6.3 | 3.7 |
| CC(1/2) | 0.999 | 0.418 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6 | 293 | 0.2 M CaCl2, 0.1 M MES pH 6.0, 20% (w/v) PEG6000, 2.5 mM O6-methyl-2'-dGTP, 6 mM MgCl2 |
