4W87
Crystal structure of XEG5A, a GH5 xyloglucan-specific endo-beta-1,4-glucanase from metagenomic library, in complex with a xyloglucan oligosaccharide
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 | CCD |
Collection date | 2014-01-01 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.459 |
Spacegroup name | P 31 |
Unit cell lengths | 96.504, 96.504, 95.857 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.140 - 2.150 |
R-factor | 0.1903 |
Rwork | 0.188 |
R-free | 0.23380 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | native structure of XEG5A |
RMSD bond length | 0.016 |
RMSD bond angle | 1.776 |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.280 | |
High resolution limit [Å] | 2.150 | 6.400 | 2.150 |
Rmerge | 0.200 | 0.061 | |
Rmeas | 0.223 | 0.066 | 1.350 |
Total number of observations | 285791 | ||
Number of reflections | 53072 | 2055 | 8433 |
<I/σ(I)> | 7.72 | 27.95 | |
Completeness [%] | 97.6 | 99.7 | 96.1 |
Redundancy | 5.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | PEG3350, PEG400, magnesium chloride |