9B2N
Structure of the quorum quenching lactonase GcL D122N mutant - monometal center
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 | 2016-03-10 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.03317 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 146.360, 109.080, 78.740 |
| Unit cell angles | 90.00, 115.95, 90.00 |
Refinement procedure
| Resolution | 19.650 - 1.900 |
| R-factor | 0.21384 |
| Rwork | 0.213 |
| R-free | 0.22346 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.775 |
| 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] | 19.650 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmeas | 0.076 | 0.720 |
| Number of reflections | 85892 | 12226 |
| <I/σ(I)> | 16.11 | 2.49 |
| Completeness [%] | 99.4 | 99.5 |
| Redundancy | 4.17 | |
| CC(1/2) | 0.999 | 0.880 |
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 |
