8YIF
Crystal structure of GH13_30 alpha-glucosidase CmmB in complex with acarviosin
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-03-09 |
| Detector | DECTRIS PILATUS3 S 2M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.223, 73.336, 73.213 |
| Unit cell angles | 90.00, 90.47, 90.00 |
Refinement procedure
| Resolution | 42.130 - 1.600 |
| R-factor | 0.1713 |
| Rwork | 0.171 |
| R-free | 0.19600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8yie |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.827 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.700 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.082 | 0.672 |
| Rmeas | 0.089 | 0.731 |
| Number of reflections | 70932 | 11229 |
| <I/σ(I)> | 15.7 | 2.78 |
| Completeness [%] | 99.6 | |
| Redundancy | 6.61 | |
| CC(1/2) | 0.999 | 0.873 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 5 mM acarviosin, 0.5 M lithium chloride, 10% (w/v) polyethylene glycol 6000, and 55 mM HEPES-NaOH buffer (pH 7.0) |
