6TCV
Crystal structure of Bacteroides thetaiotamicron EndoBT-3987 in complex with Man9GlcNAc2Asn substrate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-04-06 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97915 |
| Spacegroup name | H 3 |
| Unit cell lengths | 115.495, 115.495, 97.422 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.865 - 1.311 |
| R-factor | 0.1596 |
| Rwork | 0.159 |
| R-free | 0.17720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3poh |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | XDS |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.865 | 29.865 |
| High resolution limit [Å] | 1.310 | 1.310 |
| Rmerge | 0.068 | 0.659 |
| Number of reflections | 115143 | 10639 |
| <I/σ(I)> | 10.75 | 1.33 |
| Completeness [%] | 99.1 | |
| Redundancy | 4.9 | |
| CC(1/2) | 0.998 | 0.671 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 00 mM M MES pH 6, 50 mM CaCl2 and 10% (w/v) PEG 3350 |
