6YQH
GH146 beta-L-arabinofuranosidase bound to covalent inhibitor
This is a non-PDB format compatible entry.
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 | 2019-09-14 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 95.418, 95.418, 189.068 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 85.330 - 1.410 |
| Rwork | 0.129 |
| R-free | 0.17000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5opj |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.877 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 95.420 | 1.430 |
| High resolution limit [Å] | 1.410 | 1.410 |
| Rmeas | 0.120 | 3.073 |
| Number of reflections | 167826 | 8140 |
| <I/σ(I)> | 11.7 | 1.1 |
| Completeness [%] | 100.0 | 98.1 |
| Redundancy | 16.2 | 16.5 |
| CC(1/2) | 1.000 | 0.500 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | 10 mg/mL enzyme treated with 200 uM inhibitor at 37C for 16 hours and subsequently mixed 1:1 with 20% PEG3350, 0.2 M ammonium formate, 170 mM arabinose, 0.1 M pH 6.0 MES |
