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. |