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 |