6TO0
Structure of E70A mutant of Rex8A from Paenibacillus barcinonensis complexed with 2(3)-alpha-L-arabinofuranosyl-xylotriose.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-10-20 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979260 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 87.900, 87.900, 274.180 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.530 - 1.880 |
| R-factor | 0.2355 |
| Rwork | 0.234 |
| R-free | 0.25730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6srd |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.474 |
| Data reduction software | XDS (0.84) |
| Data scaling software | Aimless (7.0.077) |
| Phasing software | MOLREP (7.0.077) |
| Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.530 | 1.910 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Rmerge | 0.078 | 0.609 |
| Rmeas | 0.085 | 0.660 |
| Rpim | 0.032 | 0.357 |
| Number of reflections | 100926 | 4930 |
| <I/σ(I)> | 13.8 | |
| Completeness [%] | 99.9 | 99.5 |
| Redundancy | 6.5 | |
| CC(1/2) | 0.998 | 0.920 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 18% PEG 3350, 0.2M Potassium thiocyanate, 0.1M Bis-Tris propane pH 7.5. Microseeding. Co-crystallization with 2(3)-alpha-L-arabinofuranosyl-xylotriose |
