6ESZ
Crystal structure of PqsBC from Pseudomonas aeruginosa (crystal form 1)
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 | 2015-11-04 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 61.989, 142.384, 171.121 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.343 - 1.840 |
R-factor | 0.151 |
Rwork | 0.149 |
R-free | 0.17860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6et1 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.829 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.17) |
Phasing software | PHASER |
Refinement software | PHENIX (dev_2875) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.460 | 47.460 | 1.870 |
High resolution limit [Å] | 1.840 | 10.080 | 1.840 |
Rmerge | 0.120 | 0.027 | 1.066 |
Rmeas | 0.128 | 0.029 | 1.142 |
Rpim | 0.044 | 0.011 | 0.404 |
Number of reflections | 132059 | 929 | 6539 |
<I/σ(I)> | 14.1 | ||
Completeness [%] | 100.0 | 99.2 | 100 |
Redundancy | 8.2 | 7.3 | 7.9 |
CC(1/2) | 0.998 | 0.999 | 0.806 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.6 | 293 | 0.1 M Bis-Tris (pH 6.6), 0.2 M Lithium sulfate, 16% PEG 3350, 5% MPD |