6G2L
Crystal structure of human mitochondrial 5'(3')-deoxyribonucleotidase in complex with the inhibitor PB-PMTMU
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 | 2016-04-20 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 73.797, 73.797, 106.632 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.870 - 1.480 |
| R-factor | 0.1224 |
| Rwork | 0.122 |
| R-free | 0.14960 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4yik |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.830 |
| Data reduction software | XDS |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.880 | 1.570 |
| High resolution limit [Å] | 1.480 | 1.480 |
| Rmeas | 0.070 | 0.802 |
| Number of reflections | 49378 | 7653 |
| <I/σ(I)> | 16.04 | 2.05 |
| Completeness [%] | 99.5 | 96.8 |
| Redundancy | 7.77 | 7.89 |
| CC(1/2) | 0.999 | 0.793 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 291 | 20 mM potassium phosphate monobasic, 8% PEG8000, 10% gycerol, pH 4, |
