3QP5
Crystal structure of CviR bound to antagonist chlorolactone (CL)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 298 |
| Detector technology | CCD |
| Collection date | 2009-10-18 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | H 3 |
| Unit cell lengths | 169.318, 169.318, 99.844 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.878 - 3.249 |
| R-factor | 0.2652 |
| Rwork | 0.263 |
| R-free | 0.30360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qp1 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.896 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.5_2)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 84.659 | 3.370 |
| High resolution limit [Å] | 3.249 | 3.250 |
| Rmerge | 0.062 | 0.488 |
| Number of reflections | 16715 | |
| <I/σ(I)> | 16.851 | 2.855 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 5.5 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 296 | 50 mM sodium citrate, 15-20% w/v PEG3350, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 296K |
