5SOE
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1429867185
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 | 137.354, 65.426, 84.235 |
| Unit cell angles | 90.00, 93.42, 90.00 |
Refinement procedure
| Resolution | 84.080 - 1.590 |
| R-factor | 0.1931 |
| Rwork | 0.191 |
| R-free | 0.22840 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | None |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.535 |
| 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] | 84.080 | 84.080 | 1.670 |
| High resolution limit [Å] | 1.590 | 5.020 | 1.590 |
| Rmerge | 0.066 | 0.026 | 0.905 |
| Rmeas | 0.080 | 0.032 | 1.200 |
| Rpim | 0.045 | 0.017 | 0.780 |
| Total number of observations | 291323 | 10651 | 29374 |
| Number of reflections | 98534 | ||
| <I/σ(I)> | 9.3 | 33.3 | 0.8 |
| Completeness [%] | 98.0 | 98.4 | 93.3 |
| Redundancy | 3 | 3.3 | 2.2 |
| CC(1/2) | 0.998 | 0.999 | 0.421 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.20M ammonium formate, 26% PEG3350 |
