6ET1
Crystal structure of PqsBC from Pseudomonas aeruginosa (crystal form 2)
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 | 2014-08-28 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1.0000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 151.479, 230.923, 134.255 |
Unit cell angles | 90.00, 113.92, 90.00 |
Refinement procedure
Resolution | 48.114 - 2.650 |
R-factor | 0.1822 |
Rwork | 0.181 |
R-free | 0.20320 |
Structure solution method | SAD |
RMSD bond length | 0.002 |
RMSD bond angle | 0.547 |
Data reduction software | XDS |
Data scaling software | Aimless (0.3.11) |
Phasing software | BALBES |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.114 | 48.110 | 2.700 |
High resolution limit [Å] | 2.650 | 14.510 | 2.650 |
Rmerge | 0.113 | 0.020 | 0.967 |
Rmeas | 0.131 | 0.023 | 1.114 |
Rpim | 0.065 | 0.011 | 0.549 |
Number of reflections | 121019 | 750 | 5927 |
<I/σ(I)> | 10.7 | ||
Completeness [%] | 99.4 | 96.7 | 99 |
Redundancy | 3.9 | 4 | 4 |
CC(1/2) | 0.995 | 0.999 | 0.603 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 0.1 M HEPES (pH 8.0), 0.2 M Ammonium sulfate, 30% Poly(acrylic acid sodium salt) 2100 |