5A6M
Determining the specificities of the catalytic site from the very high resolution structure of the thermostable glucuronoxylan endo-Beta-1, 4-xylanase, CtXyn30A, from Clostridium thermocellum with a xylotetraose bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-12-17 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.680, 87.120, 59.000 |
| Unit cell angles | 90.00, 113.36, 90.00 |
Refinement procedure
| Resolution | 54.170 - 1.170 |
| R-factor | 0.116 |
| Rwork | 0.115 |
| R-free | 0.13500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4uqe |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.857 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0123) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.000 | 1.190 |
| High resolution limit [Å] | 1.170 | 1.170 |
| Rmerge | 0.070 | 0.620 |
| Number of reflections | 135027 | |
| <I/σ(I)> | 12.7 | 2.2 |
| Completeness [%] | 87.3 | 42 |
| Redundancy | 4.3 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.2 M POTASSIUM PHOSPHATE |
