6T8K
Crystal structure of Bacteroides thetaiotamicron EndoBT-3987 in complex with Man9GlcNAc product in P1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-12-09 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97624 |
| Spacegroup name | P 1 |
| Unit cell lengths | 46.898, 59.633, 76.061 |
| Unit cell angles | 97.31, 90.14, 92.29 |
Refinement procedure
| Resolution | 29.276 - 2.000 |
| R-factor | 0.1634 |
| Rwork | 0.162 |
| R-free | 0.19660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3poh |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.280 | 29.280 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.054 | 0.217 |
| Number of reflections | 53616 | 3567 |
| <I/σ(I)> | 9.89 | 3.75 |
| Completeness [%] | 93.3 | |
| Redundancy | 1.8 | |
| CC(1/2) | 0.991 | 0.775 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.02 M sodium/potassium phosphate, 100 mM SPG (succinic acid, phosphate, glycine) system pH 9.0, and 25% (w/v) PEG 1500. |
