5SOG
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z57328997
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 | 2019-05-17 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91587 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 137.490, 65.500, 84.370 |
| Unit cell angles | 90.00, 93.62, 90.00 |
Refinement procedure
| Resolution | 59.180 - 1.630 |
| R-factor | 0.1779 |
| Rwork | 0.176 |
| R-free | 0.21140 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | None |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.579 |
| 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] | 59.110 | 59.110 | 1.670 |
| High resolution limit [Å] | 1.630 | 7.290 | 1.630 |
| Rmerge | 0.048 | 0.014 | 0.794 |
| Rmeas | 0.059 | 0.017 | 1.033 |
| Rpim | 0.033 | 0.009 | 0.654 |
| Total number of observations | 273675 | 3444 | 14142 |
| Number of reflections | 92383 | ||
| <I/σ(I)> | 13.2 | 48 | 1.1 |
| Completeness [%] | 98.9 | 99.1 | 97.4 |
| Redundancy | 3 | 3.1 | 2.1 |
| CC(1/2) | 0.999 | 1.000 | 0.492 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.20M ammonium formate, 26% PEG3350 |
