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 |