5I23
Crystal Structure of Agd31B, alpha-transglucosylase in Glycoside Hydrolase Family 31, in complex with Cyclophellitol Aziridine probe CF022
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-02-26 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | .9795 |
| Spacegroup name | P 6 2 2 |
| Unit cell lengths | 198.000, 198.000, 103.000 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 171.470 - 1.950 |
| R-factor | 0.16375 |
| Rwork | 0.163 |
| R-free | 0.18711 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4b9y |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.573 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 171.470 | 1.990 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.130 | 1.640 |
| Number of reflections | 86417 | |
| <I/σ(I)> | 19.6 | 0.801 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 20 | 20.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 293 | 1.8 M AMMONIUM SULFATE, 0.1 M HEPES (PH 7.0), 2% PEG400 |
