5SO7
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z219104216
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 | 137.996, 65.740, 84.442 |
| Unit cell angles | 90.00, 93.70, 90.00 |
Refinement procedure
| Resolution | 84.270 - 1.570 |
| R-factor | 0.18 |
| Rwork | 0.178 |
| R-free | 0.21250 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | None |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.638 |
| 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] | 84.310 | 84.310 | 1.610 |
| High resolution limit [Å] | 1.570 | 7.020 | 1.570 |
| Rmerge | 0.051 | 0.027 | 0.661 |
| Rmeas | 0.062 | 0.032 | 0.876 |
| Rpim | 0.034 | 0.017 | 0.569 |
| Total number of observations | 293031 | 3937 | 13927 |
| Number of reflections | 104164 | ||
| <I/σ(I)> | 9.8 | 29.7 | 1.1 |
| Completeness [%] | 98.9 | 99.9 | 97 |
| Redundancy | 2.8 | 3.2 | 1.9 |
| CC(1/2) | 0.998 | 0.998 | 0.532 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.20M ammonium formate, 26% PEG3350 |
