6D0G
1.78 Angstrom Resolution Crystal Structure of Quercetin 2,3-dioxygenase from Acinetobacter baumannii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-02-06 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.97872 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 41.883, 73.616, 202.741 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.780 - 1.780 |
| R-factor | 0.17629 |
| Rwork | 0.174 |
| R-free | 0.21009 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.509 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.810 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.095 | 0.755 |
| Rmeas | 0.098 | 0.790 |
| Rpim | 0.026 | 0.223 |
| Number of reflections | 29760 | 1272 |
| <I/σ(I)> | 29.3 | 3.3 |
| Completeness [%] | 97.2 | 85.4 |
| Redundancy | 13.3 | 11.7 |
| CC(1/2) | 0.773 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 292 | 8.0 mg/mL protein in 0.01 M Tris, pH 8.3, screen: PACT (F2) (0.2 M sodium bromide, 0.1 M Bis-Tris propane, pH 6.5, 20% w/v PEG3350) |
