3WH8
Crystal structure of GH1 beta-glucosidase Td2F2 isofagomine complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-02-13 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.411, 69.167, 96.004 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.040 - 1.900 |
| R-factor | 0.13355 |
| Rwork | 0.132 |
| R-free | 0.16936 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ug6 |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.927 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 36608 | |
| <I/σ(I)> | 16.4 | 3.3 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.1 | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 1.2M K/Na tartrate, 0.1M Na-CHES, 0.2M Li2SO4, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K |
