5I8S
Structure of Mouse Acireductone dioxygenase with Ni2+ ion and pentanoic acid in the active site
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-07-10 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 79.090, 79.090, 115.355 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.151 - 1.890 |
| R-factor | 0.174 |
| Rwork | 0.173 |
| R-free | 0.20040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vr3 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.967 |
| Data reduction software | HKL-2000 (c705b) |
| Data scaling software | HKL-2000 (v705b) |
| Phasing software | PHENIX (v1.9) |
| Refinement software | PHENIX (v1.9) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.960 |
| High resolution limit [Å] | 1.890 | 4.070 | 1.890 |
| Rmerge | 0.096 | 0.049 | 0.763 |
| Number of reflections | 29822 | ||
| <I/σ(I)> | 27.09 | ||
| Completeness [%] | 99.3 | 99.4 | 100 |
| Redundancy | 26 | 25.6 | 25.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 277 | 5.0% Glycerol, 19.0% iso-Propanol, 19.0% PEG-4000, 0.1M Citrate pH 5.6. |
