5SO4
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with JKH93A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-05-12 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97628 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 137.796, 65.808, 84.507 |
| Unit cell angles | 90.00, 93.90, 90.00 |
Refinement procedure
| Resolution | 59.430 - 1.590 |
| R-factor | 0.188 |
| Rwork | 0.186 |
| R-free | 0.22040 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | None |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.556 |
| 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] | 59.360 | 59.360 | 1.680 |
| High resolution limit [Å] | 1.590 | 5.040 | 1.590 |
| Rmerge | 0.083 | 0.032 | 1.244 |
| Rmeas | 0.098 | 0.039 | 1.500 |
| Rpim | 0.052 | 0.021 | 0.826 |
| Total number of observations | 343205 | 11031 | 45102 |
| Number of reflections | 100339 | ||
| <I/σ(I)> | 8.4 | 28.8 | 0.9 |
| Completeness [%] | 99.7 | 99.5 | 99.1 |
| Redundancy | 3.4 | 3.4 | 3.1 |
| CC(1/2) | 0.998 | 0.998 | 0.440 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.20M ammonium formate, 26% PEG3350 |
