3C7F
Crystal structure of a glycoside hydrolase family 43 arabinoxylan arabinofuranohydrolase from bacillus subtilis in complex with xylotriose.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7A |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-03-28 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.0788 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.627, 73.662, 106.368 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.550 |
| R-factor | 0.16502 |
| Rwork | 0.164 |
| R-free | 0.19007 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | pdb entries 1w9t 1gyh |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.218 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | MrBUMP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.580 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.083 | 0.322 |
| Number of reflections | 76939 | |
| <I/σ(I)> | 14 | 3.9 |
| Completeness [%] | 98.1 | 99.9 |
| Redundancy | 3.4 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 277 | 4.0 M Na formate, 1.0 M lithium chloride, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
