4MWO
Crystal structure of human mitochondrial 5'(3')-deoxyribonucleotidase in complex with the inhibitor CPB-T
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-07-17 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.91841 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 73.974, 73.974, 105.950 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.900 - 1.670 |
| R-factor | 0.1647 |
| Rwork | 0.163 |
| R-free | 0.19120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4l6a |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.059 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.903 | 1.770 |
| High resolution limit [Å] | 1.670 | 1.670 |
| Rmerge | 0.067 | 0.505 |
| Number of reflections | 34274 | |
| <I/σ(I)> | 21 | 3 |
| Completeness [%] | 98.3 | 90.1 |
| Redundancy | 7.51 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4 | 291 | 20 mM potassium phosphate monobasic, 8% PEG8000, 10% glycerol, pH 4, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
