6G2N
Crystal structure of human cytosolic 5'(3')-deoxyribonucleotidase in complex with the inhibitor PB-PAU
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 | 2016-11-15 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 1 |
| Unit cell lengths | 38.877, 47.231, 61.795 |
| Unit cell angles | 67.86, 88.69, 77.37 |
Refinement procedure
| Resolution | 42.410 - 1.400 |
| R-factor | 0.1521 |
| Rwork | 0.151 |
| R-free | 0.19200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4yih |
| RMSD bond length | 0.017 |
| RMSD bond angle | 2.020 |
| Data reduction software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.410 | 1.490 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmeas | 0.026 | 0.556 |
| Number of reflections | 68116 | 11048 |
| <I/σ(I)> | 18.84 | |
| Completeness [%] | 87.8 | 87.9 |
| Redundancy | 2.22 | 2.21 |
| CC(1/2) | 1.000 | 0.741 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 291 | Morpheus H2, 0.1M MES/imidazole pH 6.5, 10% PEG 8000, 20% ethylene glycol, 0.02M of each amino acid, |
