9KD0
Crystal structure of Bacteroides ovatus KduI2 responsible for metabolism of glycosaminoglycan
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-02-12 |
| Detector | DECTRIS EIGER R 4M |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 89.416, 72.936, 39.532 |
| Unit cell angles | 90.00, 90.55, 90.00 |
Refinement procedure
| Resolution | 39.530 - 2.910 |
| R-factor | 0.2027 |
| Rwork | 0.200 |
| R-free | 0.25720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.485 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.21.1_5286: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.090 |
| High resolution limit [Å] | 2.910 | 2.910 |
| Rmerge | 0.094 | 0.451 |
| Rmeas | 0.106 | 0.518 |
| Number of reflections | 25764 | 886 |
| <I/σ(I)> | 11.54 | 3.07 |
| Completeness [%] | 99.7 | 99.1 |
| Redundancy | 4.58 | 4.17 |
| CC(1/2) | 0.996 | 0.911 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 4.5 | 293 | PEG monomethyl ether 2000, Calcium acetate |
