2UV0
Structure of the P. aeruginosa LasR ligand-binding domain bound to its autoinducer
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE BW7A |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | BW7A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-02-21 |
Detector | MARRESEARCH |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 53.820, 85.330, 75.510 |
Unit cell angles | 90.00, 95.82, 90.00 |
Refinement procedure
Resolution | 40.000 - 1.800 |
R-factor | 0.211 |
Rwork | 0.209 |
R-free | 0.25400 |
Structure solution method | SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.098 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | CNX |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.090 | 0.580 |
Number of reflections | 61495 | |
<I/σ(I)> | 26.4 | 3.1 |
Completeness [%] | 97.8 | 96.9 |
Redundancy | 8.1 | 7.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.3 | 20% W/V PEG 4000, 80 MM CALCIUM ACETATE, 40 MM HEPES PH 7.3, 5 MM DTT AND 50 MICROMOLAR N-3-OXO-DODECANOYL-HOMOSERINE LACTONE. |