3QP1
Crystal structure of CviR ligand-binding domain bound to the native ligand C6-HSL
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 298 |
| Detector technology | CCD |
| Collection date | 2010-06-05 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 55.543, 55.973, 125.223 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 62.620 - 1.550 |
| R-factor | 0.21681 |
| Rwork | 0.215 |
| R-free | 0.24735 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qp6 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.234 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.622 | 1.610 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.476 | |
| Number of reflections | 28173 | |
| <I/σ(I)> | 2.536 | |
| Completeness [%] | 96.0 | 96 |
| Redundancy | 11 | 7.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 9 | 296 | 100 mM Tris-Cl, 200 mM magnesium chloride, 25-35% w/v PEG3350, pH 9.0, VAPOR DIFFUSION, temperature 296K |
