5SNQ
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1891773476
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 | 138.112, 65.696, 84.352 |
| Unit cell angles | 90.00, 93.53, 90.00 |
Refinement procedure
| Resolution | 47.940 - 2.160 |
| R-factor | 0.1967 |
| Rwork | 0.193 |
| R-free | 0.26520 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | None |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.573 |
| 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] | 47.900 | 47.900 | 2.220 |
| High resolution limit [Å] | 2.160 | 9.660 | 2.160 |
| Rmerge | 0.184 | 0.039 | 1.034 |
| Rmeas | 0.220 | 0.046 | 1.229 |
| Rpim | 0.120 | 0.024 | 0.658 |
| Total number of observations | 133652 | 1628 | 10032 |
| Number of reflections | 40631 | ||
| <I/σ(I)> | 4.4 | 13.8 | 1.1 |
| Completeness [%] | 99.9 | 99 | 99.7 |
| Redundancy | 3.3 | 3.3 | 3.4 |
| CC(1/2) | 0.971 | 0.999 | 0.562 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.20M ammonium formate, 26% PEG3350 |
