2R2D
Structure of a quorum-quenching lactonase (AiiB) from Agrobacterium tumefaciens
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 200 |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 79.146, 158.033, 80.439 |
| Unit cell angles | 90.00, 104.48, 90.00 |
Refinement procedure
| Resolution | 18.100 - 1.750 |
| R-factor | 0.16169 |
| Rwork | 0.159 |
| R-free | 0.21267 |
| Structure solution method | SAD |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.526 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 79.060 | 1.810 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.062 | 0.606 |
| Number of reflections | 185201 | |
| <I/σ(I)> | 16.6 | 1.1 |
| Completeness [%] | 96.8 | 79.1 |
| Redundancy | 2.9 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 3.5 | 298 | 35% glycerol anhydrous and 0.26 M ammonium dihydrogen phosphate, pH 3.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
