6TBQ
AA13 Lytic polysaccharide monooxygenase from Aspergillus oryzae partially in Cu(II) state
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-06-25 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.30 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.305, 61.316, 72.982 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.900 - 1.720 |
| R-factor | 0.222 |
| Rwork | 0.221 |
| R-free | 0.26330 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4opb |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.441 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC (5.8.0230) |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.900 | 1.760 |
| High resolution limit [Å] | 1.720 | 1.720 |
| Rmeas | 0.332 | 2.327 |
| Number of reflections | 21830 | 758 |
| <I/σ(I)> | 4.6 | 0.6 |
| Completeness [%] | 99.1 | |
| Redundancy | 3.77 | |
| CC(1/2) | 0.987 | 0.425 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | 0.1 M buffer system (II) (0.2 M L-malic acid, 0.04 M MES, 0.4 M Tris) pH 5, 0.2 M Zn-acetate, 23% PEG 3000. The crystals were soaked in 0.09 M Buffer system (II) pH 5, 22.5% PEG 3000, 0.5 M Cu-acetate, 1 mg/ml BSA |
