7POQ
Crystal structure of profragilysin-3 (proBFT-3) from Bacteroides fragilis in complex with foliosidine in P41212.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-02-03 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.91190 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 83.830, 83.830, 266.320 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 79.960 - 1.850 |
| R-factor | 0.1913 |
| Rwork | 0.191 |
| R-free | 0.20390 |
| 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 (6-FEB-2020)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 80.000 | 1.870 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.129 | 1.737 |
| Number of reflections | 82100 | 2219 |
| <I/σ(I)> | 18.9 | |
| Completeness [%] | 100.0 | |
| Redundancy | 26.2 | |
| CC(1/2) | 1.000 | 0.787 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 14% (w/v) PEG 3350 0.2M magnesium chloride Cryoprotection by soaking for 15-30 seconds in mother liquor supplemented with 2.5M L-proline. |
