9B9N
Crystal structure of FlcD from Pseudomonas aeruginosa bound to iron (II) and substrate
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-1 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-12-01 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.9201 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 124.953, 55.865, 96.462 |
| Unit cell angles | 90.00, 96.88, 90.00 |
Refinement procedure
| Resolution | 28.630 - 2.280 |
| R-factor | 0.208 |
| Rwork | 0.205 |
| R-free | 0.25250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.596 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.17.1_3660: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.630 | 2.365 |
| High resolution limit [Å] | 2.280 | 2.280 |
| Rmerge | 0.047 | 0.491 |
| Rmeas | 0.067 | 0.695 |
| Rpim | 0.047 | 0.491 |
| Number of reflections | 30091 | 2896 |
| <I/σ(I)> | 9.5 | 1.53 |
| Completeness [%] | 99.3 | 96.24 |
| Redundancy | 2 | 1.9 |
| CC(1/2) | 0.997 | 0.591 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M ammonium sulfate, 0.1 M Tris HCl pH 8.5, 25 % (w/v) PEG 3350 |
