8QXY
Xylanase from Bacillus circulans mutant E78Q bound to xylotriose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-07-23 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.965459 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 80.320, 80.320, 133.480 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.290 - 1.410 |
| R-factor | 0.18569 |
| Rwork | 0.184 |
| R-free | 0.21145 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.518 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0415) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.290 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Number of reflections | 85922 | 4204 |
| <I/σ(I)> | 10.8 | |
| Completeness [%] | 99.6 | 99.8 |
| Redundancy | 1.8 | 1.9 |
| CC(1/2) | 0.993 | 0.606 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 5 %v/v PEGSB, 0.071 M Zn Acet, 0.1 M BIS-TRIS, 0.2 M LiSO4 |
