5SNN
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1954800564
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 | 137.696, 65.721, 84.151 |
| Unit cell angles | 90.00, 93.28, 90.00 |
Refinement procedure
| Resolution | 59.360 - 2.080 |
| R-factor | 0.1826 |
| Rwork | 0.180 |
| R-free | 0.24000 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | None |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.513 |
| 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] | 59.300 | 59.300 | 2.130 |
| High resolution limit [Å] | 2.080 | 9.300 | 2.080 |
| Rmerge | 0.138 | 0.045 | 0.808 |
| Rmeas | 0.164 | 0.054 | 0.958 |
| Rpim | 0.089 | 0.028 | 0.511 |
| Total number of observations | 149053 | 1811 | 11336 |
| Number of reflections | 45246 | ||
| <I/σ(I)> | 5.1 | 12.4 | 1.4 |
| Completeness [%] | 99.9 | 99.7 | 99.9 |
| Redundancy | 3.3 | 3.3 | 3.4 |
| CC(1/2) | 0.985 | 0.996 | 0.581 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.20M ammonium formate, 26% PEG3350 |
