5SNB
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1545313172
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 | 2019-04-11 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91587 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 138.683, 65.619, 84.474 |
| Unit cell angles | 90.00, 93.29, 90.00 |
Refinement procedure
| Resolution | 69.320 - 1.670 |
| R-factor | 0.1818 |
| Rwork | 0.180 |
| R-free | 0.21650 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | None |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.518 |
| 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] | 69.230 | 69.230 | 1.760 |
| High resolution limit [Å] | 1.670 | 5.270 | 1.670 |
| Rmerge | 0.075 | 0.025 | 0.926 |
| Rmeas | 0.090 | 0.029 | 1.188 |
| Rpim | 0.049 | 0.016 | 0.735 |
| Total number of observations | 272491 | 9751 | 28807 |
| Number of reflections | 88016 | ||
| <I/σ(I)> | 8.7 | 32.7 | 0.8 |
| Completeness [%] | 99.6 | 99.8 | 98.5 |
| Redundancy | 3.1 | 3.4 | 2.3 |
| CC(1/2) | 0.998 | 0.999 | 0.445 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.20M ammonium formate, 26% PEG3350 |
