7K99
Crystal Structure of P. aeruginosa LpxC with N-Hydroxyformamide inhibitor 19
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-08-03 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 35.763, 158.047, 49.072 |
| Unit cell angles | 90.00, 101.90, 90.00 |
Refinement procedure
| Resolution | 35.510 - 1.900 |
| R-factor | 0.169 |
| Rwork | 0.166 |
| R-free | 0.22440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5u39 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.550 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 5.160 | 1.900 |
| Rmerge | 0.103 | 0.034 | 0.796 |
| Rmeas | 0.115 | 0.038 | 0.898 |
| Rpim | 0.050 | 0.016 | 0.404 |
| Total number of observations | 199786 | ||
| Number of reflections | 40247 | 2063 | 1912 |
| <I/σ(I)> | 6.9 | ||
| Completeness [%] | 96.5 | 97.4 | 92.7 |
| Redundancy | 5 | 5 | 4.4 |
| CC(1/2) | 0.997 | 0.424 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 1.6 M AmSO4, 0.5 M LiCl |
