8P67
Crystal structure of Thermothelomyces thermophila (double mutant EE) in complex with aldotetrauronic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 120 |
| 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 | 41.203, 107.129, 87.781 |
| Unit cell angles | 90.00, 95.75, 90.00 |
Refinement procedure
| Resolution | 45.700 - 1.370 |
| R-factor | 0.16436 |
| Rwork | 0.163 |
| R-free | 0.18743 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.615 |
| 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] | 45.660 | 1.390 |
| High resolution limit [Å] | 1.370 | 1.370 |
| Number of reflections | 156777 | 7671 |
| <I/σ(I)> | 14.3 | |
| Completeness [%] | 99.0 | |
| Redundancy | 6.7 | |
| CC(1/2) | 0.999 | 0.546 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | Na/K Tartrate, PEG3350 |
