5SNH
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z198194394
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 | 137.424, 65.303, 84.368 |
| Unit cell angles | 90.00, 93.28, 90.00 |
Refinement procedure
| Resolution | 84.230 - 1.950 |
| R-factor | 0.1934 |
| Rwork | 0.191 |
| R-free | 0.24510 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | None |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.606 |
| 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] | 84.250 | 84.250 | 2.000 |
| High resolution limit [Å] | 1.950 | 8.720 | 1.950 |
| Rmerge | 0.219 | 0.048 | 1.162 |
| Rmeas | 0.261 | 0.057 | 1.418 |
| Rpim | 0.141 | 0.030 | 0.803 |
| Total number of observations | 181705 | 2223 | 12141 |
| Number of reflections | 54553 | ||
| <I/σ(I)> | 5.7 | 21.7 | 1.1 |
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 3.3 | 3.3 | 3 |
| CC(1/2) | 0.976 | 0.995 | 0.334 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.20M ammonium formate, 26% PEG3350 |
