5D21
Multivalency Effects in Glycopeptide Dendrimer Inhibitors of Pseudomonas aeruginosa Biofilms Targeting Lectin LecA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-10-20 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.000010 |
| Spacegroup name | P 1 |
| Unit cell lengths | 40.539, 72.940, 79.008 |
| Unit cell angles | 117.51, 104.90, 89.91 |
Refinement procedure
| Resolution | 17.902 - 1.900 |
| R-factor | 0.2105 |
| Rwork | 0.210 |
| R-free | 0.22480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1oko |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.718 |
| Data reduction software | MOSFLM (3.3.21) |
| Data scaling software | SCALA (3.3.21) |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 67.083 | 17.902 | 2.000 |
| High resolution limit [Å] | 1.900 | 6.010 | 1.900 |
| Rmerge | 0.027 | 0.165 | |
| Rmeas | 0.079 | ||
| Rpim | 0.043 | 0.018 | 0.104 |
| Total number of observations | 176263 | 5633 | 25846 |
| Number of reflections | 57986 | ||
| <I/σ(I)> | 9 | 12.9 | 5.9 |
| Completeness [%] | 95.6 | 94.6 | 94.6 |
| Redundancy | 3 | 3.1 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 292 | 1.5M Ammonium sulfate |
