5SNT
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z30820160
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 | 137.492, 65.307, 84.430 |
| Unit cell angles | 90.00, 93.50, 90.00 |
Refinement procedure
| Resolution | 68.710 - 2.160 |
| R-factor | 0.2023 |
| Rwork | 0.199 |
| R-free | 0.26230 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | None |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.537 |
| 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] | 68.590 | 68.590 | 2.220 |
| High resolution limit [Å] | 2.160 | 9.660 | 2.160 |
| Rmerge | 0.268 | 0.169 | 1.021 |
| Rmeas | 0.320 | 0.199 | 1.212 |
| Rpim | 0.173 | 0.104 | 0.648 |
| Total number of observations | 132891 | 1656 | 9965 |
| Number of reflections | 40265 | ||
| <I/σ(I)> | 3 | 7.2 | 1.1 |
| Completeness [%] | 99.9 | 99.8 | 100 |
| Redundancy | 3.3 | 3.4 | 3.4 |
| CC(1/2) | 0.953 | 0.949 | 0.478 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.20M ammonium formate, 26% PEG3350 |
