5SNR
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z198195770
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 | 137.678, 65.233, 84.325 |
| Unit cell angles | 90.00, 93.49, 90.00 |
Refinement procedure
| Resolution | 68.810 - 1.750 |
| R-factor | 0.2014 |
| Rwork | 0.199 |
| R-free | 0.24140 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | None |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.449 |
| 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] | 68.710 | 68.710 | 1.840 |
| High resolution limit [Å] | 1.750 | 5.530 | 1.750 |
| Rmerge | 0.135 | 0.036 | 1.288 |
| Rmeas | 0.162 | 0.043 | 1.627 |
| Rpim | 0.090 | 0.024 | 0.982 |
| Total number of observations | 229230 | 8126 | 28151 |
| Number of reflections | 72801 | ||
| <I/σ(I)> | 6.5 | 23.3 | 0.8 |
| Completeness [%] | 96.4 | 99.6 | 99.3 |
| Redundancy | 3.1 | 3.3 | 2.6 |
| CC(1/2) | 0.993 | 0.998 | 0.413 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.20M ammonium formate, 26% PEG3350 |
