5SO5
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with JKH93B
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-05-11 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97628 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 137.755, 65.596, 84.509 |
| Unit cell angles | 90.00, 93.70, 90.00 |
Refinement procedure
| Resolution | 68.830 - 1.680 |
| R-factor | 0.1831 |
| Rwork | 0.181 |
| R-free | 0.22160 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | None |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.510 |
| 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] | 68.730 | 68.730 | 1.770 |
| High resolution limit [Å] | 1.680 | 5.300 | 1.680 |
| Rmerge | 0.059 | 0.027 | 1.128 |
| Rmeas | 0.070 | 0.032 | 1.339 |
| Rpim | 0.037 | 0.017 | 0.714 |
| Total number of observations | 272234 | 9366 | 37115 |
| Number of reflections | 78503 | ||
| <I/σ(I)> | 10.4 | 33.7 | 1 |
| Completeness [%] | 91.0 | 99 | 87.9 |
| Redundancy | 3.5 | 3.3 | 3.4 |
| CC(1/2) | 0.999 | 0.999 | 0.464 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.20M ammonium formate, 26% PEG3350 |
