4XUT
Structure of the CBM22-2 xylan-binding domain in complex with 1,3:1,4 Beta-glucotetraose B from Paenibacillus barcinonensis Xyn10C
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 | 2013-10-18 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 32 |
| Unit cell lengths | 92.478, 92.478, 48.382 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.380 - 1.800 |
| R-factor | 0.20525 |
| Rwork | 0.204 |
| R-free | 0.22572 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4xun |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.492 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.380 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.092 | 0.432 |
| Total number of observations | 393762 | |
| Number of reflections | 42863 | |
| <I/σ(I)> | 14.8 | 4.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 9.2 | 8.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 1.85M Sodium malonate. Ratio protein/precipitant=0.5/1 |
