6Q7I
GH3 exo-beta-xylosidase (XlnD)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-07-05 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.979500 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 70.470, 90.580, 244.370 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.240 - 1.480 |
| R-factor | 0.16076 |
| Rwork | 0.159 |
| R-free | 0.19313 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5a7m |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.842 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.240 | 1.510 |
| High resolution limit [Å] | 1.480 | 1.480 |
| Rpim | 0.037 | |
| Number of reflections | 260021 | 12784 |
| <I/σ(I)> | 10.5 | 1 |
| Completeness [%] | 100.0 | |
| Redundancy | 8.1 | |
| CC(1/2) | 0.999 | 0.485 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | Halogens NaF; NaBr; NaI, imidazole/MES pH 6.5, PEG550/PEG20K. |
