5U3B
Pseudomonas aeruginosa LpxC in complex with NVS-LPXC-01
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2008-08-25 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.99980 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 35.826, 98.432, 165.187 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 82.590 - 2.000 |
R-factor | 0.1874 |
Rwork | 0.186 |
R-free | 0.21310 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.040 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.6) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 82.590 | 2.590 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.093 | 0.588 |
Rmeas | 0.034 | |
Number of reflections | 40521 | 532 |
<I/σ(I)> | 14.9 | 3.1 |
Completeness [%] | 99.8 | 99.8 |
Redundancy | 6.4 | 5.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1M Hepes PH 7.0, 0.25M MgCl2, 10% PEG 3350 |