8C48
Crystal structure of Thermothelomyces thermophila GH30 (double mutant EE) in complex with xylopentaose
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 | 40.950, 107.806, 88.241 |
| Unit cell angles | 90.00, 95.47, 90.00 |
Refinement procedure
| Resolution | 45.980 - 1.400 |
| R-factor | 0.12905 |
| Rwork | 0.128 |
| R-free | 0.15589 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.408 |
| 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] | 45.980 | 1.360 |
| High resolution limit [Å] | 1.340 | 1.340 |
| Rmerge | 0.068 | |
| Rmeas | 0.074 | |
| Rpim | 0.028 | |
| Number of reflections | 159903 | 56330 |
| <I/σ(I)> | 13.4 | |
| Completeness [%] | 98.9 | 96.5 |
| Redundancy | 6.9 | 6.9 |
| CC(1/2) | 0.999 | 0.394 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | Sodium fluoride, Sodium bromide, Sodium iodide, Sodium HEPES, MOPS,PEG 500 MME, PEG 20000 |
