5CYL
Crystal structure of the CupB6 tip adhesin from Pseudomonas aeruginosa
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-01-19 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.92002, 0.97903, 0.97957, 0.96757 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 358.813, 88.930, 172.974 |
| Unit cell angles | 90.00, 112.94, 90.00 |
Refinement procedure
| Resolution | 97.290 - 2.770 |
| R-factor | 0.23983 |
| Rwork | 0.238 |
| R-free | 0.26645 |
| Structure solution method | MAD |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.746 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | SHARP |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 97.290 | 2.840 |
| High resolution limit [Å] | 2.770 | 2.770 |
| Rmerge | 0.098 | 0.857 |
| Number of reflections | 416327 | |
| <I/σ(I)> | 8.9 | 1.4 |
| Completeness [%] | 96.6 | 96.9 |
| Redundancy | 3.4 | 3.3 |
| CC(1/2) | 0.970 | 0.578 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.2 | 291.15 | 1.6M NaH2PO4, 400 mM KH2PO4, 100mM phosphate citrate |
