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 |