6G22
Crystal structure of human mitochondrial 5'(3')-deoxyribonucleotidase in complex with the inhibitor PB-PEU
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-04-27 |
| Detector | DECTRIS PILATUS 300K |
| Wavelength(s) | 1.5419 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 73.753, 73.753, 106.563 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.190 - 1.850 |
| R-factor | 0.15706 |
| Rwork | 0.155 |
| R-free | 0.19069 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4yik |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.794 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Refinement software | REFMAC (5.8.0218) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.190 | 1.960 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmeas | 0.058 | 0.588 |
| Number of reflections | 47028 | 7578 |
| <I/σ(I)> | 15.03 | 1.46 |
| Completeness [%] | 97.9 | 97.3 |
| Redundancy | 3.35 | 1.77 |
| CC(1/2) | 0.999 | 0.708 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 291 | 20 mM potassium phosphate monobasic, 8% PEG8000, 10% gycerol, pH 4 |
