9B2J
Structure of the quorum quenching lactonase GcL I237M mutant
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 | PIXEL |
| Collection date | 2020-11-17 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.99184 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 147.400, 110.300, 79.400 |
| Unit cell angles | 90.00, 115.90, 90.00 |
Refinement procedure
| Resolution | 64.170 - 2.350 |
| R-factor | 0.1851 |
| Rwork | 0.184 |
| R-free | 0.19915 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.923 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 64.230 | 2.400 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Number of reflections | 48202 | 5605 |
| <I/σ(I)> | 19.44 | |
| Completeness [%] | 94.9 | |
| Redundancy | 3.74 | |
| CC(1/2) | 0.998 | 0.975 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 292 | 1.0 - 1.25 M ammonium sulfate and 0.1 M sodium acetate pH 4.0 - 5.5 |
