5IJU
Structure of an AA10 Lytic Polysaccharide Monooxygenase from Bacillus amyloliquefaciens with Cu(II) bound
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 | 2015-01-30 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 34.779, 73.482, 75.457 |
| Unit cell angles | 90.00, 100.40, 90.00 |
Refinement procedure
| Resolution | 37.110 - 1.700 |
| R-factor | 0.2249 |
| Rwork | 0.223 |
| R-free | 0.26350 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2yox |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.637 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.110 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.142 | 0.620 |
| Number of reflections | 41043 | |
| <I/σ(I)> | 5.3 | 1.3 |
| Completeness [%] | 99.8 | 99.4 |
| Redundancy | 3.3 | 2.8 |
| CC(1/2) | 0.985 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 292 | 0.1 M NaOAc pH 5.0, 20 % PEG-6000, 0.2 M CaCl2 Micro seeded using crystals grown in 0.1 M MMT pH 4.0, 25 % PEG-1500 |
