6TRH
Structure of E70A mutant of Rex8A from Paenibacillus barcinonensis complexed with 3(3)-alpha-L-arabinofuranosyl-xylotetraose.
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 | C 2 2 21 |
Unit cell lengths | 82.295, 82.720, 465.317 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.620 - 1.860 |
R-factor | 0.2398 |
Rwork | 0.238 |
R-free | 0.26330 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6srd |
RMSD bond length | 0.006 |
RMSD bond angle | 1.417 |
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] | 46.620 | 1.890 |
High resolution limit [Å] | 1.850 | 1.860 |
Rmerge | 0.153 | 0.658 |
Rmeas | 0.162 | 0.768 |
Rpim | 0.052 | 0.377 |
Number of reflections | 129847 | 5330 |
<I/σ(I)> | 8 | 1 |
Completeness [%] | 97.2 | 80.7 |
Redundancy | 7.4 | 3.2 |
CC(1/2) | 0.992 | 0.568 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 20% PEG 3350, 0.2M Potassium thiocyanate, 0.1M Bis Tris propane pH 7.5. Microseeding. Co-crystallization: 5 mM 3(3)-alpha-L-arabinofuranosyl-xylotetraose. Cryoprotectant: 25% Glycerol. |