5SO1
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z30620520
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-05-12 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91587 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 137.394, 65.190, 84.337 |
| Unit cell angles | 90.00, 93.47, 90.00 |
Refinement procedure
| Resolution | 58.950 - 2.070 |
| R-factor | 0.179 |
| Rwork | 0.176 |
| R-free | 0.23590 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | None |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.610 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 58.910 | 58.910 | 2.120 |
| High resolution limit [Å] | 2.070 | 9.260 | 2.070 |
| Rmerge | 0.191 | 0.048 | 0.836 |
| Rmeas | 0.228 | 0.057 | 0.990 |
| Rpim | 0.124 | 0.031 | 0.526 |
| Total number of observations | 150702 | 1811 | 11609 |
| Number of reflections | 45537 | ||
| <I/σ(I)> | 4.3 | 10.6 | 1.5 |
| Completeness [%] | 99.9 | 99.7 | 99.9 |
| Redundancy | 3.3 | 3.3 | 3.4 |
| CC(1/2) | 0.923 | 0.995 | 0.630 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.20M ammonium formate, 26% PEG3350 |
