2WBG
Structure of family 1 beta-glucosidase from Thermotoga maritima in complex with 3-imino-2-oxa-(+)-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 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 89.989, 73.187, 138.085 |
| Unit cell angles | 90.00, 94.03, 90.00 |
Refinement procedure
| Resolution | 137.360 - 1.850 |
| R-factor | 0.1558 |
| Rwork | 0.153 |
| R-free | 0.19876 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1od0 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.452 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.4.0077) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.920 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.090 | 0.480 |
| Number of reflections | 152735 | |
| <I/σ(I)> | 13.5 | 2.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 3.9 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 10 MG/ML PROTEIN, 0.1 M IMIDAZOLE, PH 7, 0.2 M CALCIUM ACETATE, 14-19% PEG 4K |
