4W8B
Crystal structure of XEG5B, a GH5 xyloglucan-specific beta-1,4-glucanase from ruminal metagenomic library, in complex with XXLG
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) | 0.954 |
Spacegroup name | P 61 |
Unit cell lengths | 120.632, 120.632, 59.004 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 39.490 - 1.150 |
R-factor | 0.1041 |
Rwork | 0.103 |
R-free | 0.12240 |
RMSD bond length | 0.025 |
RMSD bond angle | 2.192 |
Data scaling software | XDS |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.220 | |
High resolution limit [Å] | 1.150 | 3.440 | 1.150 |
Rmerge | 0.053 | 0.020 | |
Rmeas | 0.056 | 0.022 | 0.294 |
Total number of observations | 1377786 | ||
Number of reflections | 165780 | 6643 | 23972 |
<I/σ(I)> | 26.38 | 81.55 | |
Completeness [%] | 95.7 | 99.9 | 85.9 |
Redundancy | 8.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 291 | ammonium sulfate, sodium citrate, glycerol |