3QP2
Crystal structure of CviR ligand-binding domain bound to C8-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 | 2009-02-27 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 55.580, 55.907, 124.988 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.407 - 1.638 |
R-factor | 0.2017 |
Rwork | 0.201 |
R-free | 0.22270 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3qp1 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.076 |
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] | 62.494 | 1.700 |
High resolution limit [Å] | 1.638 | 1.640 |
Rmerge | 0.060 | 0.498 |
Number of reflections | 24191 | |
<I/σ(I)> | 15.9 | 2.194 |
Completeness [%] | 99.5 | 99.5 |
Redundancy | 5.8 |
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 |