3L91
Structure of Pseudomonas aerugionsa PvdQ bound to octanoate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE A1 |
| Synchrotron site | CHESS |
| Beamline | A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-04-24 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9782 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 120.289, 165.281, 93.998 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.660 |
| R-factor | 0.16842 |
| Rwork | 0.168 |
| R-free | 0.18536 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3l94 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.235 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.750 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.045 | 0.358 |
| Number of reflections | 103682 | |
| <I/σ(I)> | 19 | 2.1 |
| Completeness [%] | 93.8 | 68.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 293 | 10-15 % PEG4000, 50-100 mM RbCl, 50 mM HEPES, pH 7.5, VAPOR DIFFUSION, temperature 293K |
