6TOW
Structure of E70A mutant of Rex8A from Paenibacillus barcinonensis complexed with 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 | 2017-03-10 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979260 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 84.573, 84.573, 274.597 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.980 - 2.050 |
R-factor | 0.2374 |
Rwork | 0.236 |
R-free | 0.26490 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6srd |
RMSD bond length | 0.007 |
RMSD bond angle | 1.447 |
Data reduction software | XDS |
Data scaling software | Aimless (7.0.029) |
Phasing software | MOLREP (7.0.029) |
Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.980 | 2.090 |
High resolution limit [Å] | 2.050 | 2.050 |
Rmerge | 0.093 | 0.642 |
Rmeas | 0.100 | 0.695 |
Rpim | 0.038 | 0.264 |
Number of reflections | 72614 | 4419 |
<I/σ(I)> | 12.2 | 2.9 |
Completeness [%] | 100.0 | 100 |
Redundancy | 6.6 | 6.7 |
CC(1/2) | 0.998 | 0.904 |
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 50-100mM xylotetraose. |