4XUQ
Structure of the CBM22-2 xylan-binding domain from Paenibacillus barcinonensis Xyn10C in complex with xylotriose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-09-26 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 32 |
| Unit cell lengths | 92.455, 92.455, 48.425 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.420 - 1.950 |
| R-factor | 0.1799 |
| Rwork | 0.178 |
| R-free | 0.21251 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4xun |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.519 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.420 | 2.050 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.090 | 0.289 |
| Total number of observations | 315365 | |
| Number of reflections | 33856 | |
| <I/σ(I)> | 17.5 | 7.6 |
| Completeness [%] | 99.9 | 99.7 |
| Redundancy | 9.3 | 9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 293 | 1.95M Sodium malonate. Ratio protein/precipitant=1/0.5 |
