5LA2
The mechanism by which arabinoxylanases can recognise highly decorated xylans
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-09-20 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9791 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 76.273, 123.176, 125.380 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.430 - 1.650 |
R-factor | 0.14901 |
Rwork | 0.146 |
R-free | 0.19855 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5AK1 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.533 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.430 | 1.680 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.057 | 0.749 |
Number of reflections | 140288 | |
<I/σ(I)> | 11.2 | 1.6 |
Completeness [%] | 99.8 | 99.4 |
Redundancy | 3.3 | 3.4 |
CC(1/2) | 0.988 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293.15 | 100 mM Tris-Bicine buffer pH 8.5, 12.5% (w/v) polyethylene glycol average Mw 1,000 Da, 12.5% (w/v) polyethylene glycol average Mw 3,350 Da and 12.5% (RS)-2-methyl-2,4-pentanediol (racemic). |