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) |