8QF8
GH146 beta-L-arabinofuranosidase from Bacteroides thetaioatomicron in complex with beta-l-arabinofurano cyclophellitol aziridine
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 | 2023-01-22 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97623 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 93.840, 98.549, 196.584 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 55.899 - 2.400 |
Rwork | 0.190 |
R-free | 0.22080 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 1.259 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 55.900 | 55.900 | 2.450 |
High resolution limit [Å] | 2.400 | 11.760 | 2.400 |
Rmerge | 0.101 | 0.029 | 1.138 |
Rmeas | 0.109 | 0.032 | 1.237 |
Rpim | 0.041 | 0.013 | 0.481 |
Number of reflections | 72064 | 773 | 5308 |
<I/σ(I)> | 16.8 | ||
Completeness [%] | 100.0 | ||
Redundancy | 13.7 | 12.1 | 12.7 |
CC(1/2) | 0.994 | 0.991 | 0.830 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 15-17% PEG 3350, MES pH 6.25-6.5, 0.2M ammonium formate, seeding from similar conditions |