5HZX
Crystal structure of zebrafish MTH1 in complex with TH588
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-07-23 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91991 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 76.260, 71.202, 60.924 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.600 - 1.900 |
| R-factor | 0.18615 |
| Rwork | 0.184 |
| R-free | 0.23556 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zr1 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.311 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.600 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.210 | 1.000 |
| Number of reflections | 26840 | |
| <I/σ(I)> | 7.9 | 2 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.2 | 7.1 |
| CC(1/2) | 0.995 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4 | 293 | 28% PEG 10K, 0.1 M Sodium acetate, pH 4.0, 0.2 M Lithium sulfate |
