4W85
Crystal structure of XEG5A, a GH5 xyloglucan-specific endo-beta-1,4-glucanase from ruminal metagenomic library, in complex with glucose
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 | 97.604, 97.604, 96.241 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.850 - 1.920 |
| R-factor | 0.1806 |
| Rwork | 0.179 |
| R-free | 0.21640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | the native structure of XEG5A |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.788 |
| 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 | 2.030 | |
| High resolution limit [Å] | 1.920 | 5.720 | 1.920 |
| Rmerge | 0.152 | 0.054 | |
| Rmeas | 0.160 | 0.057 | 1.816 |
| Total number of observations | 806168 | ||
| Number of reflections | 75371 | 2945 | 10614 |
| <I/σ(I)> | 12.81 | 45.38 | |
| Completeness [%] | 96.0 | 99.8 | 83.4 |
| Redundancy | 10.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | PEG3350, PEG400, magnesium chloride |
