5SNK
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z2856434941
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 | 137.455, 65.293, 84.291 |
| Unit cell angles | 90.00, 93.42, 90.00 |
Refinement procedure
| Resolution | 68.700 - 1.980 |
| R-factor | 0.1811 |
| Rwork | 0.178 |
| R-free | 0.23540 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | None |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.594 |
| 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] | 68.640 | 68.640 | 2.030 |
| High resolution limit [Å] | 1.980 | 8.850 | 1.980 |
| Rmerge | 0.164 | 0.037 | 0.945 |
| Rmeas | 0.197 | 0.045 | 1.145 |
| Rpim | 0.107 | 0.024 | 0.640 |
| Total number of observations | 171062 | 2057 | 11768 |
| Number of reflections | 52040 | ||
| <I/σ(I)> | 4.7 | 12 | 1.2 |
| Completeness [%] | 99.8 | 99.8 | 99.6 |
| Redundancy | 3.3 | 3.3 | 3.1 |
| CC(1/2) | 0.983 | 0.997 | 0.601 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.20M ammonium formate, 26% PEG3350 |
