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 |
