2WYD
The quorum quenching N-acyl homoserine lactone acylase PvdQ in complex with dodecanoic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM16 |
| Synchrotron site | ESRF |
| Beamline | BM16 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-04-20 |
| Detector | ADSC CCD |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 120.775, 166.366, 94.313 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.129 - 1.901 |
| R-factor | 0.169 |
| Rwork | 0.167 |
| R-free | 0.19440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.144 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0096) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.130 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.080 | 0.470 |
| Number of reflections | 73345 | |
| <I/σ(I)> | 9.5 | 1.63 |
| Completeness [%] | 98.1 | 88.6 |
| Redundancy | 4.24 | 2.89 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 9 | 24% PEG 6000, 100 MM BICINE PH 9.6 |
