2WYB
The quorum quenching N-acyl homoserine lactone acylase PvdQ with a covalently bound dodecanoic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-07-27 |
| Detector | ADSC CCD |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 121.100, 167.100, 94.300 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.500 - 2.100 |
| R-factor | 0.179 |
| Rwork | 0.178 |
| R-free | 0.21300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.124 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.520 | 2.210 |
| High resolution limit [Å] | 2.090 | 2.100 |
| Rmerge | 0.120 | 0.560 |
| Number of reflections | 55845 | |
| <I/σ(I)> | 6.31 | 1.37 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 4.33 | 4.36 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 9 | 24% PEG 6000, 100 MM BICINE PH 9.1 |
