8QME
Structural characterization of beta-xyloxidase XynB2 from Geobacillus stearothermophilus CECT43
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-09-18 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 1 |
| Unit cell lengths | 81.121, 97.514, 107.400 |
| Unit cell angles | 107.45, 98.48, 106.55 |
Refinement procedure
| Resolution | 81.670 - 2.250 |
| R-factor | 0.1795 |
| Rwork | 0.178 |
| R-free | 0.21280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4rhh |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.554 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.080 | 2.290 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.100 | 0.590 |
| Rmeas | 0.141 | 0.835 |
| Rpim | 0.100 | 0.590 |
| Total number of observations | 235632 | 11351 |
| Number of reflections | 134250 | 6524 |
| <I/σ(I)> | 3.6 | 0.8 |
| Completeness [%] | 97.2 | |
| Redundancy | 1.8 | 1.7 |
| CC(1/2) | 0.984 | 0.558 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | COUNTER-DIFFUSION | 5 | 293 | Sodium Acetate 0.1M pH 5.0, Ammonium Sulphate 2.8M |
