7TXY
Crystal structure of the 2-Aminophenol 1,6-dioxygenase from the ARO bacterial microcompartment of Micromonospora rosaria
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-10-02 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.97741 |
| Spacegroup name | P 1 |
| Unit cell lengths | 68.800, 83.855, 110.272 |
| Unit cell angles | 85.59, 73.10, 89.26 |
Refinement procedure
| Resolution | 46.140 - 1.750 |
| R-factor | 0.1942 |
| Rwork | 0.194 |
| R-free | 0.22180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3vsg |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.597 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20rc1_4392) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.500 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.036 | 1.173 |
| Rmeas | 0.051 | 1.659 |
| Number of reflections | 230720 | 11288 |
| <I/σ(I)> | 15.1 | 0.8 |
| Completeness [%] | 97.3 | 95.7 |
| Redundancy | 3.5 | 3.6 |
| CC(1/2) | 0.998 | 0.421 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.4 | 293 | 28% PEG 8000, 400mM Ammonium acetate, 0.1M Tris pH 8.4 |
