8RW3
Crystal Structure of Agd31B, alpha-transglucosylase, complexed with a non-covalent 1,2- Cyclophellitol aziridine
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 | 2022-11-20 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | C 2 2 2 |
| Unit cell lengths | 197.020, 341.249, 102.805 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.820 - 1.900 |
| R-factor | 0.21932 |
| Rwork | 0.217 |
| R-free | 0.26108 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.624 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.830 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 270451 | 13299 |
| <I/σ(I)> | 9.1 | |
| Completeness [%] | 100.0 | |
| Redundancy | 14 | |
| CC(1/2) | 0.990 | 0.440 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 1.8 Ammonium sulfate, 0.1 M HEPES pH 7.0, 2% PEG 400 |
