2WC3
Structure of family 1 beta-glucosidase from Thermotoga maritima in complex with 3-imino-2-oxa-(+)-8-epi-castanospermine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 120 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 103.812, 73.965, 119.318 |
| Unit cell angles | 90.00, 108.49, 90.00 |
Refinement procedure
| Resolution | 113.230 - 2.000 |
| R-factor | 0.187 |
| Rwork | 0.184 |
| R-free | 0.24900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1od0 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.468 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.4.0077) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.110 | 0.360 |
| Number of reflections | 112653 | |
| <I/σ(I)> | 6.5 | 2.4 |
| Completeness [%] | 97.1 | 90.7 |
| Redundancy | 3.1 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 10 MG/ML PROTEIN, 0.1 M IMIDAZOLE, PH7, 0.2 CALCIUM ACETATE, 15-17% PEG 4000 |
