7DIF
GH127 beta-L-arabinofuranosidase HypBA1 covalently complexed with beta-L-arabinofuranose-configured cyclophellitol at 1.75-angstrom resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
Synchrotron site | Photon Factory |
Beamline | AR-NE3A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-11-10 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1.000 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 77.714, 77.714, 252.094 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.050 - 1.750 |
R-factor | 0.2176 |
Rwork | 0.216 |
R-free | 0.24330 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3wkx |
RMSD bond length | 0.010 |
RMSD bond angle | 1.618 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.050 | 1.780 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.083 | 3.325 |
Rpim | 0.039 | 1.527 |
Number of reflections | 90295 | 4409 |
<I/σ(I)> | 10.8 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 9.9 | 10.1 |
CC(1/2) | 0.999 | 0.670 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1 M MES-NaOH (pH 6.5), 0.7 M sodium citrate |