3WH6
Crystal structure of GH1 beta-glucosidase Td2F2 glucose complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
Synchrotron site | Photon Factory |
Beamline | AR-NW12A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-02-12 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 68.087, 68.454, 95.863 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.230 - 1.600 |
R-factor | 0.15885 |
Rwork | 0.157 |
R-free | 0.19037 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ug6 |
RMSD bond length | 0.023 |
RMSD bond angle | 2.276 |
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 | 1.630 |
High resolution limit [Å] | 1.600 | 1.600 |
Number of reflections | 59793 | |
<I/σ(I)> | 33 | 3 |
Completeness [%] | 99.5 | 98.8 |
Redundancy | 6.9 | 6.5 |
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, 0.5M D-glucose, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K |