7CIC
Crystal structure of P.aeruginosa LpxC in complex with inhibitor
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 | 2016-01-26 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97949 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 87.090, 51.890, 146.620 |
| Unit cell angles | 90.00, 105.61, 90.00 |
Refinement procedure
| Resolution | 43.930 - 1.780 |
| R-factor | 0.19229 |
| Rwork | 0.190 |
| R-free | 0.24160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3uhm |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.655 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.930 | 1.830 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.047 | 0.613 |
| Number of reflections | 59205 | 4339 |
| <I/σ(I)> | 10.7 | 1.4 |
| Completeness [%] | 97.5 | 97.7 |
| Redundancy | 2.8 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 292 | Morpheus HT-96 (MD1-47). Well A9 |
