7P4C
Crystal Structure of Agd31B, alpha-transglucosylase in Glycoside Hydrolase Family 31, in complex with noncovalent Cyclophellitol Sulfamidate probe KK131
This is a non-PDB format compatible entry.
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 | 2019-07-19 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97950 |
| Spacegroup name | P 6 2 2 |
| Unit cell lengths | 197.000, 197.000, 102.156 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 102.310 - 1.860 |
| Rwork | 0.192 |
| R-free | 0.22900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4b9y |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.603 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 102.310 | 1.890 |
| High resolution limit [Å] | 1.860 | 1.860 |
| Rmerge | 0.124 | 2.839 |
| Rmeas | 0.127 | 2.900 |
| Rpim | 0.025 | 0.589 |
| Number of reflections | 97555 | 4790 |
| <I/σ(I)> | 14.5 | 1.3 |
| Completeness [%] | 100.0 | |
| Redundancy | 24.6 | |
| CC(1/2) | 0.999 | 0.618 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 1.8 M AMMONIUM SULFATE, 0.1 M HEPES (PH 7.0), 2% PEG400 |
