7POL
Crystal structure of profragilysin-3 (proBFT-3) from Bacteroides fragilis in complex with flumequine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-11-19 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97926 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 84.020, 84.020, 267.270 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 80.150 - 1.950 |
R-factor | 0.2014 |
Rwork | 0.201 |
R-free | 0.21500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3p24 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.890 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.3) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 80.200 | 1.970 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.143 | |
Number of reflections | 70841 | 2025 |
<I/σ(I)> | 12.2 | |
Completeness [%] | 100.0 | |
Redundancy | 10.2 | |
CC(1/2) | 0.999 | 0.749 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 20 % (w/v) PEG 3350 0.2 M ammonium sulfate Cryoprotection by soaking for 15-30 seconds in mother liquor supplemented with 2.5M L-proline. |