3QG6
Structural Basis for Ligand Recognition and Discrimination of a Quorum Quenching Antibody
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-06-05 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 68.360, 98.498, 73.670 |
| Unit cell angles | 90.00, 114.03, 90.00 |
Refinement procedure
| Resolution | 39.740 - 2.500 |
| R-factor | 0.18637 |
| Rwork | 0.184 |
| R-free | 0.23877 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 15c8 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.461 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.740 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.168 | 0.431 |
| Number of reflections | 29017 | |
| <I/σ(I)> | 6.4 | 1.6 |
| Completeness [%] | 94.3 | 90.7 |
| Redundancy | 2.9 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 29mM Zinc chloride, 20% PEG 4000, 0.1M sodium cacodylate. Cryoprotection in 20% Glycerol, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
