5I24
Crystal Structure of Agd31B, alpha-transglucosylase in Glycoside Hydrolase Family 31, in complex with Cyclophellitol Aziridine probe CF021
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 | 2016-01-25 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 6 2 2 |
| Unit cell lengths | 197.300, 197.300, 102.900 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 170.870 - 1.850 |
| R-factor | 0.17002 |
| Rwork | 0.169 |
| R-free | 0.18813 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4b9y |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.583 |
| 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] | 170.870 | 1.880 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.097 | 1.210 |
| Number of reflections | 100134 | |
| <I/σ(I)> | 26.8 | 3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 24.5 | 25 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 293 | 1.8 M AMMONIUM SULFATE, 0.1 M HEPES (PH7.0), 2% PEG400 |
