5SNL
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z2027049478
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 | 2019-05-12 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91587 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 137.716, 65.420, 84.380 |
| Unit cell angles | 90.00, 93.66, 90.00 |
Refinement procedure
| Resolution | 68.810 - 2.050 |
| R-factor | 0.1844 |
| Rwork | 0.181 |
| R-free | 0.24380 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | None |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.571 |
| 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] | 68.760 | 68.760 | 2.100 |
| High resolution limit [Å] | 2.050 | 9.170 | 2.050 |
| Rmerge | 0.192 | 0.071 | 1.035 |
| Rmeas | 0.229 | 0.086 | 1.229 |
| Rpim | 0.124 | 0.047 | 0.657 |
| Total number of observations | 155231 | 1871 | 11676 |
| Number of reflections | 47105 | ||
| <I/σ(I)> | 4.2 | 10.7 | 1.3 |
| Completeness [%] | 99.9 | 99.8 | 99.9 |
| Redundancy | 3.3 | 3.3 | 3.4 |
| CC(1/2) | 0.976 | 0.948 | 0.875 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.20M ammonium formate, 26% PEG3350 |
