5SO2
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z31504642
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 | 2019-05-21 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.91587 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 137.601, 65.565, 84.330 |
| Unit cell angles | 90.00, 93.40, 90.00 |
Refinement procedure
| Resolution | 68.770 - 2.380 |
| R-factor | 0.1807 |
| Rwork | 0.177 |
| R-free | 0.25150 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | None |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.554 |
| 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] | 68.660 | 68.660 | 2.440 |
| High resolution limit [Å] | 2.380 | 10.640 | 2.380 |
| Rmerge | 0.324 | 0.070 | 1.214 |
| Rmeas | 0.386 | 0.083 | 1.462 |
| Rpim | 0.208 | 0.043 | 0.807 |
| Total number of observations | 101439 | 1262 | 7036 |
| Number of reflections | 30244 | ||
| <I/σ(I)> | 3.7 | 8.5 | 1.4 |
| Completeness [%] | 99.9 | 99.4 | 99.5 |
| Redundancy | 3.4 | 3.5 | 3.2 |
| CC(1/2) | 0.939 | 0.996 | 0.399 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.20M ammonium formate, 26% PEG3350 |
