4XUO
Structure of the CBM22-1 xylan-binding domain from Paenibacillus barcinonensis Xyn10C
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 | H 3 |
| Unit cell lengths | 85.350, 85.350, 108.460 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.540 - 1.700 |
| R-factor | 0.21269 |
| Rwork | 0.211 |
| R-free | 0.24713 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dyo |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.405 |
| 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] | 30.540 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.135 | 0.416 |
| Total number of observations | 184811 | |
| Number of reflections | 32396 | |
| <I/σ(I)> | 2.4 | 1.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 5.7 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M Sodium nitrate, 20% PEG 3350, ratio protein/precipitant: 1.5/1 |
