8CBC
Crystal structure of Thermothelomyces thermophila GH30 (double mutant EE) in complex with xylotriose.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-03-30 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.052, 107.409, 88.059 |
| Unit cell angles | 90.00, 95.73, 90.00 |
Refinement procedure
| Resolution | 45.830 - 1.400 |
| R-factor | 0.12381 |
| Rwork | 0.123 |
| R-free | 0.14563 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.544 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.830 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.067 | |
| Rmeas | 0.073 | |
| Rpim | 0.027 | |
| Number of reflections | 145063 | 7123 |
| <I/σ(I)> | 15.7 | |
| Completeness [%] | 97.5 | |
| Redundancy | 6.9 | |
| CC(1/2) | 0.999 | 0.570 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | magnesium chloride, calcium chloride, PEG500MME, PEG20000, pH 7.5 |
