5SNM
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z135439900
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 | 137.726, 65.224, 84.461 |
| Unit cell angles | 90.00, 93.53, 90.00 |
Refinement procedure
| Resolution | 59.000 - 1.630 |
| R-factor | 0.1758 |
| Rwork | 0.174 |
| R-free | 0.20440 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | None |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.600 |
| 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] | 58.940 | 58.940 | 1.670 |
| High resolution limit [Å] | 1.630 | 7.290 | 1.630 |
| Rmerge | 0.085 | 0.025 | 0.661 |
| Rmeas | 0.103 | 0.031 | 0.877 |
| Rpim | 0.058 | 0.017 | 0.570 |
| Total number of observations | 272151 | 3496 | 13812 |
| Number of reflections | 92399 | ||
| <I/σ(I)> | 9.2 | 34.9 | 1.3 |
| Completeness [%] | 99.1 | 99.9 | 95.1 |
| Redundancy | 2.9 | 3.2 | 2.1 |
| CC(1/2) | 0.996 | 0.999 | 0.549 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.20M ammonium formate, 26% PEG3350 |
