5SNS
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1354416068
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 | 136.848, 65.050, 84.029 |
| Unit cell angles | 90.00, 92.74, 90.00 |
Refinement procedure
| Resolution | 83.930 - 2.160 |
| R-factor | 0.1931 |
| Rwork | 0.190 |
| R-free | 0.25350 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | None |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.436 |
| 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] | 83.970 | 83.970 | 2.220 |
| High resolution limit [Å] | 2.160 | 9.660 | 2.160 |
| Rmerge | 0.178 | 0.055 | 1.076 |
| Rmeas | 0.213 | 0.065 | 1.284 |
| Rpim | 0.116 | 0.035 | 0.694 |
| Total number of observations | 130557 | 1616 | 9773 |
| Number of reflections | 39681 | ||
| <I/σ(I)> | 4.5 | 12.5 | 1.2 |
| Completeness [%] | 99.8 | 99.9 | 99.8 |
| Redundancy | 3.3 | 3.4 | 3.3 |
| CC(1/2) | 0.984 | 0.995 | 0.504 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.20M ammonium formate, 26% PEG3350 |
