8W1Q
Aerobic crystal structure of iron-bound FlcD from Pseudomonas aeruginosa
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-11-14 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.00 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 52.461, 83.551, 68.829 |
Unit cell angles | 90.00, 97.70, 90.00 |
Refinement procedure
Resolution | 31.570 - 1.560 |
R-factor | 0.1766 |
Rwork | 0.176 |
R-free | 0.20830 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.825 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 31.570 | 1.616 |
High resolution limit [Å] | 1.560 | 1.560 |
Rmerge | 0.097 | 0.495 |
Rmeas | 0.117 | 0.624 |
Rpim | 0.064 | 0.373 |
Number of reflections | 79607 | 7453 |
<I/σ(I)> | 6.46 | 1.32 |
Completeness [%] | 95.2 | 89.23 |
Redundancy | 3 | 2.4 |
CC(1/2) | 0.992 | 0.508 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M magnesium chloride, 20% w/v PEG 3350 |