7OC0
Structure of Pseudomonas aeruginosa FabF mutant C164Q in complex with a ligand (2S,4R)-2-(thiophen-2-yl)thiazolidine-4-carboxylic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX IV BEAMLINE BioMAX |
| Synchrotron site | MAX IV |
| Beamline | BioMAX |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-06-13 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.91840 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 65.709, 84.054, 137.715 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.500 - 1.780 |
| R-factor | 0.15601 |
| Rwork | 0.154 |
| R-free | 0.18767 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4jb6 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.203 |
| Data reduction software | xia2 |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.500 | 1.840 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.050 | 0.360 |
| Number of reflections | 63035 | 2473 |
| <I/σ(I)> | 18.8 | |
| Completeness [%] | 85.6 | |
| Redundancy | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | G3XDA2 |
