8R06
CRYSTAL STRUCTURE OF THERMOANAEROBACTERIUM XYLANOLYTICUM GH116 BETA-GLUCOSIDASE WITH A COVALENTLY BOUND CYCLOPHELLITOL AZIRIDINE
Replaces: 5NCXExperimental 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 | 2016-09-30 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 21 2 21 |
Unit cell lengths | 53.621, 83.295, 177.480 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 60.810 - 1.700 |
R-factor | 0.15626 |
Rwork | 0.155 |
R-free | 0.18877 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.777 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 60.810 | 1.730 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.096 | 1.002 |
Rpim | 0.044 | 0.456 |
Number of reflections | 87708 | 4432 |
<I/σ(I)> | 12.4 | |
Completeness [%] | 99.5 | |
Redundancy | 5.7 | |
CC(1/2) | 0.998 | 0.578 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.7 | 291 | 0.2 M ammonium sulfate, 20% PEG 3350, 0.1M BisTris |