5OST
Beta-glucosidase from Thermoanaerobacterium xylolyticum GH116 in complex with Gluco-1H-imidazole
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-03-12 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.976 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 177.617, 54.090, 83.559 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 88.970 - 2.100 |
R-factor | 0.20224 |
Rwork | 0.200 |
R-free | 0.25094 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5bvu |
RMSD bond length | 0.016 |
RMSD bond angle | 1.711 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 88.760 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.318 | 1.630 |
Rpim | 0.126 | 0.640 |
Number of reflections | 36706 | 3567 |
<I/σ(I)> | 5.5 | 2 |
Completeness [%] | 99.9 | 99.7 |
Redundancy | 7.6 | 7.5 |
CC(1/2) | 0.949 | 0.748 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | PEG 3350, ammonium sulphate, Bis-tris |