4XUR
Structure of the CBM22-2 xylan-binding domain from Paenibacillus barcinonensis Xyn10C in complex with xylotetraose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-09-14 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.8729 |
| Spacegroup name | P 32 |
| Unit cell lengths | 92.769, 92.769, 48.571 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 33.550 - 1.670 |
| R-factor | 0.15964 |
| Rwork | 0.158 |
| R-free | 0.19366 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4xun |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.622 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.550 | 1.760 |
| High resolution limit [Å] | 1.670 | 1.670 |
| Rmerge | 0.091 | 0.451 |
| Total number of observations | 307899 | |
| Number of reflections | 54496 | |
| <I/σ(I)> | 13.1 | 3.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 5.6 | 5.3 |
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 |
