6N9I
Structure of the Quorum Quenching lactonase from Parageobacillus caldoxylosilyticus - free
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-10-01 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.03323 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 145.420, 108.680, 78.740 |
| Unit cell angles | 90.00, 115.84, 90.00 |
Refinement procedure
| Resolution | 63.930 - 1.600 |
| R-factor | 0.14178 |
| Rwork | 0.139 |
| R-free | 0.18730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2r2d |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.696 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 63.930 | 1.700 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmeas | 0.033 | 0.645 |
| Number of reflections | 602221 | 23974 |
| <I/σ(I)> | 26.5 | 3.1 |
| Completeness [%] | 99.6 | 99.7 |
| Redundancy | 4.17 | 4.15 |
| CC(1/2) | 0.100 | 0.994 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 292 | Concentrated protein samples 10mg.mL-1, ammonium sulfate 1 to 2.25M, 0.1M sodium acetate. Diffraction quality crystals appeared after 1 d at 292 K |
