6D0P
1.88 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 | 2018-03-14 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.97872 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 95.481, 131.977, 123.987 |
| Unit cell angles | 90.00, 103.58, 90.00 |
Refinement procedure
| Resolution | 29.810 - 1.880 |
| R-factor | 0.15975 |
| Rwork | 0.158 |
| R-free | 0.19039 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.340 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.910 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Rmerge | 0.094 | 0.763 |
| Rmeas | 0.107 | 0.865 |
| Rpim | 0.050 | 0.404 |
| Number of reflections | 120737 | 6014 |
| <I/σ(I)> | 15.7 | 2.1 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 4.5 | 4.4 |
| CC(1/2) | 0.649 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 292 | 8.5 mg/mL protein in 0.01 M Tris, pH 8.3, screen: Classics II (H1) (0.2 M ammonium acetate, 0.1 M Bis-Tris, pH 8.5, 25% w/v PEG3350) |
