6TCW
Crystal structure of Bacteroides thetaiotamicron EndoBT-3987 with Man5GlcNAc product
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 | 2018-11-10 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979180 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 76.250, 133.440, 49.460 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.997 - 1.599 |
| R-factor | 0.1736 |
| Rwork | 0.173 |
| R-free | 0.18940 |
| 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] | 19.997 | 19.997 |
| High resolution limit [Å] | 1.590 | 1.590 |
| Rmerge | 0.070 | 0.289 |
| Number of reflections | 125887 | 6711 |
| <I/σ(I)> | 15.4 | 5.35 |
| Completeness [%] | 100.0 | |
| Redundancy | 6.6 | |
| CC(1/2) | 0.998 | 0.967 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 100 mM MES pH 6.0, 200 mM CaCl2 and 20% (w/v) PEG 6000 |
