9B9O
Crystal structure of FlcD from Pseudomonas aeruginosa bond 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) | 1.00 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 124.991, 55.849, 96.558 |
Unit cell angles | 90.00, 96.80, 90.00 |
Refinement procedure
Resolution | 28.620 - 2.160 |
R-factor | 0.1964 |
Rwork | 0.194 |
R-free | 0.23320 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.402 |
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] | 28.620 | 2.238 |
High resolution limit [Å] | 2.160 | 2.160 |
Rmerge | 0.044 | 0.548 |
Rmeas | 0.062 | 0.775 |
Rpim | 0.044 | 0.548 |
Number of reflections | 35471 | 3373 |
<I/σ(I)> | 9.85 | 1.34 |
Completeness [%] | 99.1 | 94.83 |
Redundancy | 1.9 | 1.9 |
CC(1/2) | 0.997 | 0.603 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M sodium chloride, 0.1 M sodium phosphate dibasic, citric acid pH 4.2, 20 % (w/v) PEG 8000 |