9B2L
Structure of the quorum quenching lactonase GcL D122N mutant - bimetallic center
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-03-21 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.03333 |
| Spacegroup name | H 3 |
| Unit cell lengths | 109.220, 109.220, 221.660 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 73.890 - 2.200 |
| R-factor | 0.21546 |
| Rwork | 0.214 |
| R-free | 0.24148 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.764 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 73.890 | 2.300 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Number of reflections | 49981 | 6245 |
| <I/σ(I)> | 10.58 | |
| Completeness [%] | 99.8 | 99.8 |
| Redundancy | 6.21 | 6.34 |
| CC(1/2) | 0.998 | 0.918 |
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 |
