2CBU
Beta-glucosidase from Thermotoga maritima in complex with castanospermine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-04-17 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 94.076, 94.521, 113.280 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 72.550 - 1.850 |
| R-factor | 0.186 |
| Rwork | 0.183 |
| R-free | 0.23700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1od0 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.421 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.920 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.070 | 0.430 |
| Number of reflections | 86774 | |
| <I/σ(I)> | 21.72 | 3.97 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 5.6 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 10 MG/ML PROTEIN, 15% PEG 4K, 0.1 M IMIDAZOLE, 0.2 M CALCIUM ACETATE, 25% ETHYLENE GLYCOL AS CRYOPROTECTOR, pH 7.00 |
