4MAI
Structure of Aspergillus oryzae AA11 Lytic Polysaccharide Monooxygenase with Cu(I)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-07-14 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.980 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 56.269, 60.629, 65.176 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.630 - 1.400 |
| R-factor | 0.1323 |
| Rwork | 0.131 |
| R-free | 0.15070 |
| Structure solution method | ISOTROPIC STRUCTURE REFINEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.416 |
| Data reduction software | XDS |
| Data scaling software | SCALA (0.1.29) |
| Phasing software | SHELX |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.390 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.052 | 0.742 |
| Number of reflections | 44262 | |
| <I/σ(I)> | 17.9 | 2 |
| Completeness [%] | 99.3 | 95.7 |
| Redundancy | 6.3 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6 | 292 | 10 mM zinc chloride, 100 mM MES, pH 6.0, 20% w/v PEG6000, crystals soaked in solution containing 2 mM copper chloride to replace zinc, VAPOR DIFFUSION, temperature 292K |
