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 |