8BDD
Crystal structure of Bacteroides ovatus CP926 PL17 alginate lyase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX IV BEAMLINE BioMAX |
| Synchrotron site | MAX IV |
| Beamline | BioMAX |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-06-25 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 89.590, 120.950, 90.240 |
| Unit cell angles | 90.00, 117.76, 90.00 |
Refinement procedure
| Resolution | 48.210 - 1.610 |
| R-factor | 0.1899 |
| Rwork | 0.190 |
| R-free | 0.21190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | AlphaFold2 model |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.810 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (8) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.210 | 1.670 |
| High resolution limit [Å] | 1.610 | 1.610 |
| Number of reflections | 217247 | 20326 |
| <I/σ(I)> | 9.82 | |
| Completeness [%] | 99.3 | |
| Redundancy | 6.8 | |
| CC(1/2) | 1.000 | 0.310 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.2 M ammonium acetate, 0.1 M BIS-TRIS pH 6.5 and 25 % (w/v) polyethylene glycol 3350. |
