6XN1
Crystal structure of the GH43_1 enzyme from Xanthomonas citri complexed with xylose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | LNLS BEAMLINE W01B-MX2 |
Synchrotron site | LNLS |
Beamline | W01B-MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-09-02 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.459 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 65.431, 165.682, 159.109 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.739 - 1.800 |
R-factor | 0.1746 |
Rwork | 0.173 |
R-free | 0.20680 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4mlg |
RMSD bond length | 0.010 |
RMSD bond angle | 1.244 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX (1.8) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.330 | 36.739 | 1.910 |
High resolution limit [Å] | 1.800 | 5.380 | 1.800 |
Rmerge | 0.056 | 0.035 | 0.589 |
Rmeas | 0.062 | 0.038 | 0.717 |
Number of reflections | 77797 | 3191 | 11412 |
<I/σ(I)> | 16.74 | 45.44 | 1.87 |
Completeness [%] | 97.1 | 99.1 | 89 |
Redundancy | 4.966 | 6.223 | 2.878 |
CC(1/2) | 0.999 | 0.999 | 0.804 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 291 | 0.2 M ammonium sulfate, 30% (w/v) Polietilenoglicol 8,000, 0,1 M sodium cacodylate pH 6,5 and 10 % glycerol |