5SNF
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z87615031
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 | 2019-05-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91587 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 138.071, 65.515, 84.326 |
| Unit cell angles | 90.00, 93.20, 90.00 |
Refinement procedure
| Resolution | 69.020 - 1.990 |
| R-factor | 0.1895 |
| Rwork | 0.187 |
| R-free | 0.23490 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | None |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.444 |
| 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] | 68.950 | 68.950 | 2.040 |
| High resolution limit [Å] | 1.990 | 8.900 | 1.990 |
| Rmerge | 0.207 | 0.044 | 1.160 |
| Rmeas | 0.247 | 0.053 | 1.398 |
| Rpim | 0.133 | 0.028 | 0.772 |
| Total number of observations | 173050 | 2083 | 12182 |
| Number of reflections | 51725 | ||
| <I/σ(I)> | 5.5 | 12.5 | 1.9 |
| Completeness [%] | 99.9 | 99.7 | 99.9 |
| Redundancy | 3.3 | 3.3 | 3.2 |
| CC(1/2) | 0.973 | 0.996 | 0.356 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.20M ammonium formate, 26% PEG3350 |
